Molecule Details

O=C(CCl)N1CCN(Cc2scc3ccccc23)CC1
piperazine-chloroacetamide
Molecular Properties
SMILES:
O=C(CCl)N1CCN(Cc2scc3ccccc23)CC1
MW: 308.834
Fraction sp3: 0.4
HBA: 3
HBD: 0
Rotatable Bonds: 3
TPSA: 23.55
cLogP: 2.7843
Covalent Warhead: ✔️
Covalent Fragment: ✔️
O=C(CCl)N1CCN(Cc2cccs2)CC1

LON-WEI-8f408cad-5

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O=C(CCl)N1CCN(Cc2cccc3ccccc23)CC1

AAR-POS-d2a4d1df-40
0.522

View
O=C(CCl)N1CCN(Cc2cccc3ccccc23)CC1

MED-COV-4280ac29-31
0.522

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O=C(CCl)N1CCN(Cc2cc(F)cc3ccccc23)CC1

DAR-DIA-fb20be43-2
0.473

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O=C(CCl)N1CCN(Cc2ccc(-c3ccc4ccccc4c3CBr)s2)CC1

MAK-UNK-c74072e5-2
0.471

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O=C(CCl)N1CCN(Cc2cccs2)CC1

LON-WEI-8f408cad-5
0.470

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O=C(CCl)N1CCN(Cc2cccs2)CC1

AAR-POS-0daf6b7e-17
0.470

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COc1cc(CN2CCN(C(=O)CCl)CC2)c2ccccc2c1

DAR-DIA-fb20be43-7
0.468

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O=C(CCl)N1CCN(Cc2cc(Cl)cc3ccccc23)CC1

DAR-DIA-fb20be43-8
0.467

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O=C(CCl)N1CCN(Cc2cc(Cl)cc3ccccc23)CC1

PAU-UNI-19862c28-1
0.467

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N#Cc1cc(CN2CCN(C(=O)CCl)CC2)c2ccccc2c1

DAR-DIA-fb20be43-6
0.462

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O=C(CCl)N1CCN(Cc2ccccc2)CC1

MAK-UNK-7c9d1431-24
0.460

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O=C(CCl)N1CCN(Cc2ccc(Cl)cc2)CC1

MAK-UNK-7c9d1431-29
0.453

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O=C(CCl)N1CCN(Cc2ccc(Cl)s2)CC1

AAR-POS-0daf6b7e-2
0.448

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N#Cc1ccsc1CN1CCN(C(=O)CCl)CC1

DAV-CRI-d1e0885a-1
0.444

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O=C(NCCN1CCN(C(=O)CCl)CC1)c1cccc2ccccc12

STE-KUL-2e0d2e88-2
0.436

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O=C(CCl)N1CCN(Cc2ccsc2)CC1

MAK-UNK-212f693e-8
0.433

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O=C(CCl)N1CCN(Cc2ccsc2)CC1

AAR-POS-0daf6b7e-13
0.433

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O=C(CCl)N1CCN(Cc2ccsc2)CC1

LON-WEI-8f408cad-7
0.433

View
Cc1nc(CN2CCN(C(=O)CCl)CC2)cs1

SAD-SAT-5b1897b2-2
0.429

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O=C(CCl)N1CCN(Cc2cscc2Cl)CC1

SAD-SAT-bc31ec01-1
0.426

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O=C(CCl)N1CCN(Cc2ccc(Br)s2)CC1

AAR-POS-0daf6b7e-12
0.420

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O=C(CCl)N1CCN(Cc2ccc(Br)s2)CC1

JOH-UNI-27ac80fd-23
0.420

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Cc1ccccc1CN1CCN(C(=O)CCl)CC1

MAK-UNK-7c9d1431-20
0.414

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Cc1cccc(CN2CCN(C(=O)CCl)CC2)c1

AAR-POS-d2a4d1df-24
0.414

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O=C(CCl)N1CCN(C(=O)c2cccc3ccccc23)CC1

MAK-UNK-6ca90168-1
0.411

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Nc1csc(O)c1CN1CCN(C(=O)CCl)CC1

ASH-SAT-43770c7d-5
0.408

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O=C(CCl)N1CCN(Cc2ccco2)CC1

MAK-UNK-7c9d1431-28
0.406

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N#Cc1ccc(CN2CCN(C(=O)CCl)CC2)cc1

MAK-UNK-6ca90168-14
0.406

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O=C(CCl)N1CCN(Cc2cccc(Cl)c2)CC1

AAR-POS-d2a4d1df-35
0.400

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O=C(CCl)N1CCN(Cc2cccc(Cl)c2)CC1

MED-COV-4280ac29-15
0.400

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O=C(CCl)N1CCN(Cc2ccc(CS(=O)(=O)F)cc2)CC1

JIA-UNI-93b03cae-1
0.394

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CN(C)Cc1cccc(CN2CCN(C(=O)CCl)CC2)c1

JOK-SYG-18591e8f-1
0.392

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NS(=O)(=O)c1ccc2cccc(CN3CCN(C(=O)CCl)CC3)c2c1

MIH-UNI-e573136b-4
0.390

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O=C(CCl)N1CCN(CCCc2ccccc2)CC1

MAK-UNK-15efde89-1
0.389

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N#Cc1cccc(CN2CCN(C(=O)CCl)CC2)c1

MAT-POS-ee51dedd-1
0.387

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COc1cc(C)c(CN2CCN(C(=O)CCl)CC2)cc1OC

SAD-SAT-65574d3f-10
0.387

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O=C(CCl)N1CCN(Cc2nc(-c3cccs3)no2)CC1

NAU-LAT-64f4b287-3
0.383

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COCCc1cc(Br)sc1CN1CCN(C(=O)CCl)CC1

JOH-UNI-27ac80fd-39
0.383

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O=C(CCl)N1CCN(Cc2cc(Cl)cc(Cl)c2)CC1

PAU-UNI-8cdd41c7-1
0.382

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Cc1ccc(CN2CCN(C(=O)CCl)CC2)o1

MAR-LAB-ca4662a6-2
0.380

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O=C(CCl)N1CCN(Cc2c(F)cccc2Cl)CC1

AHN-SAT-de2502ba-15
0.378

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CCNc1ccccc1CN1CCN(C(=O)CCl)CC1

SEL-UNI-cd366922-6
0.377

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O=C(CCl)N1CCN(Cc2cnc(-c3ccccc3)nc2)CC1

MAK-UNK-af83ef51-1
0.377

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CC(=O)Nc1scc(C#N)c1CN1CCN(C(=O)CCl)CC1

DAV-CRI-d1e0885a-6
0.375

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N#Cc1csc(NCO)c1CN1CCN(C(=O)CCl)CC1

DAV-CRI-d1e0885a-5
0.375

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O=C(CCl)N1CCN(Cc2cc(F)cc(Cl)c2)CC1

SAD-SAT-581007d4-1
0.375

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NS(=O)(=O)CCc1ccccc1CN1CCN(C(=O)CCl)CC1

MIH-UNI-e573136b-5
0.372

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O=C(CCl)N1CCN(Cc2cc(O)ccc2O)CC1

NEH-REV-107bcf72-5
0.370

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COc1ccc(CN2CCN(C(=O)CCl)CC2)cc1F

SAD-SAT-5b1897b2-5
0.368

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O=C(CCl)N1CCN(Cc2ccc3c(c2)CCO3)CC1

MAK-UNK-7c9d1431-18
0.367

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O=C(CCl)N1CCN(Cc2ncc(Cc3ccccc3)s2)CC1

MED-COV-4280ac29-8
0.366

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O=C(CCl)N1CCN(Cc2cnc(Cc3ccccc3)s2)CC1

MED-COV-4280ac29-25
0.366

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NS(=O)(=O)c1ccc2c(CN3CCN(C(=O)CCl)CC3)cccc2c1

DAR-DIA-fb20be43-9
0.365

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Cc1ccccc1CN1CCCN(C(=O)CCl)CC1

TAT-ENA-80bfd3e5-20
0.364

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CC(=O)NCCc1cn(C)c2c(CN3CCN(C(=O)CCl)CC3)cccc12

TAM-UNI-d1c3dd9f-20
0.364

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Cc1ccccc1CN1CCCN(C(=O)CCl)CC1

AAR-POS-d2a4d1df-41
0.364

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O=C(CCl)N1CCN(Cc2cn(Cc3ccccc3)nn2)CC1

STE-KUL-2e0d2e88-7
0.362

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Cc1ccc(CN2CCCN(C(=O)CCl)CC2)cc1

MAK-UNK-7c9d1431-21
0.360

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O=C(CCl)N1CCN(Cc2ncc(Cc3ccsc3)s2)CC1

MAK-UNK-e4a48a85-20
0.357

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O=C(CCl)N1CCN(Cc2cc(O)cc(Cl)c2)CC1

MAT-POS-2db6411e-2
0.356

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O=C(CCl)N1CCN(C/C=C/c2ccccc2)CC1

AHN-SAT-de2502ba-14
0.356

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O=C(CCl)N1CCN(C/C=C/c2ccccc2)CC1

SAD-SAT-65574d3f-1
0.356

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O=C(CCl)N1CCN(Cc2cc(O)cc(Cl)c2)CC1

SAD-SAT-581007d4-7
0.356

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Cc1cc(Cl)cc(CN2CCN(C(=O)CCl)CC2)c1

SAD-SAT-581007d4-2
0.356

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O=C(CCl)N1CCN(S(=O)(=O)c2ccc(Cc3cccc4ccccc34)s2)CC1

MAK-UNK-e05327b2-8
0.356

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O=C(NCCN1CCN(C(=O)CCl)CC1)c1ccccc1

STE-KUL-2e0d2e88-1
0.355

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CCNc1scc(C#N)c1CN1CCN(C(=O)CCl)CC1

DAV-CRI-d1e0885a-4
0.354

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CNC(=O)Cc1c(C)cccc1CN1CCN(C(=O)CCl)CC1

STE-UNK-13e151dd-1
0.354

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CNCCSC(=O)c1cccc(CN2CCN(C(=O)CCl)CC2)c1

MAK-UNK-176ca439-3
0.353

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CNCCSC(=O)c1cccc(CN2CCN(C(=O)CCl)CC2)c1

MAK-UNK-cd94b63c-1
0.353

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O=C(CCl)N1CCN(Cc2ccc3c(c2)OCCO3)CC1

MAR-TRE-6a44bbf2-54
0.351

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O=C(CCl)N1CCN(Cc2ccc3c(c2)OCCO3)CC1

MAK-UNK-7c9d1431-16
0.351

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O=C(CCl)N1CCN(Cc2ccc3c(c2)OCO3)CC1

MAK-UNK-7c9d1431-14
0.351

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COCc1cc(CN2CCN(C(=O)CCl)CC2)sc1Br

JOH-UNI-27ac80fd-38
0.350

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CC(=O)Nc1ccc(C#N)cc1CN1CCN(C(=O)CCl)CC1

TAM-UNI-d1c3dd9f-18
0.349

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COc1ccccc1-n1cc(CN2CCN(C(=O)CCl)CC2)nn1

ANT-STE-dbb91f63-3
0.349

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Nc1nc(CN2CCN(C(=O)CCl)CC2)ncc1Cc1ccccc1

MED-COV-4280ac29-19
0.349

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O=C(CCl)N1CCN(c2ccccc2[N+](=O)[O-])CC1

AAR-POS-d2a4d1df-28
0.347

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COCc1cc(Cl)cc(CN2CCN(C(=O)CCl)CC2)c1

MED-COV-4280ac29-33
0.346

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CCNc1ccc(C#N)cc1CN1CCN(C(=O)CCl)CC1

DAR-DIA-fb20be43-3
0.345

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COc1ccc(-n2cc(CN3CCN(C(=O)CCl)CC3)nn2)cc1

ANT-STE-dbb91f63-1
0.345

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O=C(CCl)N1CCN(Cc2cc(Cl)cc3cnccc23)CC1

JOO-PER-58e158bd-1
0.345

View
O=C(CCl)N1CCN(Oc2ccsc2)CC1

MAK-UNK-212f693e-9
0.342

View
CNC(=O)C(CCN1CCN(C(=O)CCl)CC1)Nc1ccccc1

MED-COV-dea4df70-1
0.341

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COCCc1ccc(Cl)cc1CN1CCN(C(=O)CCl)CC1

MED-COV-4280ac29-37
0.341

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CC(=O)NCCc1c[nH]c2c(CN3CCN(C(=O)CCl)CC3)cccc12

DUN-NEW-f8ce3686-24
0.341

View
O=C(CCl)N1CCN(C(=O)c2cccs2)CC1

AAR-POS-0daf6b7e-16
0.338

View
NS(=O)(=O)c1ccc2cc(CN3CCN(C(=O)CCl)CC3)ccc2c1

SEL-UNI-cd366922-7
0.337

View
O=C(CCl)N1CCN(Cc2cnc(Cc3ccsc3)s2)CC1

MAK-UNK-e4a48a85-21
0.337

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(Cc3cccc4ccccc34)cc2)CC1

MED-COV-4280ac29-5
0.337

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Nc1nc(CN2CCN(C(=O)CCl)CC2)ncc1Cc1ccsc1

MAK-UNK-e4a48a85-22
0.337

View
Cc1cccc(CN2CCN(C(=O)CCl)CC2)c1C(=O)N1CCC(O)CC1

MAK-UNK-e4a48a85-26
0.333

View
NS(=O)(=O)c1ccc2c(CN3CCN(C(=O)CCl)CC3)cc(F)cc2c1

DAR-DIA-fb20be43-12
0.333

View
O=C(CCl)N1CCN(C(=O)Nc2ccccc2)CC1

AHN-SAT-de2502ba-7
0.333

View
O=C(C(F)Cl)N1CCN(Cc2cccc3ccccc23)CC1

JOO-IND-6372a4f3-6
0.333

View
O=C(CCl)N1CCN(C(=O)c2ccccc2)CC1

MAK-UNK-987948f6-2
0.333

View
O=C(CCl)N1CCN(Cc2cccc(CNC(=O)N3CCOCC3)c2)CC1

TAM-UNI-d1c3dd9f-12
0.333

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CNC(=O)c1ccc(C#N)cc1CN1CCN(C(=O)CCl)CC1

TAM-UNI-d1c3dd9f-17
0.333

View
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCl)CC1

TAT-ENA-80bfd3e5-30
0.333

View
N#Cc1cnc(CCO)cc1CN1CCN(C(=O)CCl)CC1

MED-COV-4280ac29-35
0.333

View
O=C(CCl)N1CCN(Cc2cccc3ccccc23)CC1

0.622

View
O=C(CCl)N1CCN(Cc2cccs2)CC1

0.556

View
O=C(CCl)N1CCN(Cc2ccccc2Cl)CC1

0.533

View
O=C(CCl)N1CCN(Cc2cc3ccccc3[nH]2)CC1

0.531

View
O=C(CCl)N1CCN(Cc2csc(-c3ccccc3)n2)CC1

0.519

View
Cc1ccccc1CN1CCN(C(=O)CCl)CC1

0.511

View
O=C(CCl)N1CCN(Cc2ccsc2)CC1

0.511

View
O=C(CCl)N1CCCN(Cc2ccccc2)CC1

0.511

View
O=C(CCl)N1CCN(C(=O)c2cccc3ccccc23)CC1

0.511

View
O=C(CCl)N1CCN(Cc2ccccn2)CC1

0.500

View
Nc1nc(CN2CCN(C(=O)CCl)CC2)nc2ccccc12

0.500

View
O=C(CCl)N1CCN(Cc2nc3ccccc3s2)CC1

0.490

View
O=C(CO)N1CCN(Cc2c3ccccc3cc3ccccc23)CC1

0.490

View
CCC(=O)N1CCN(Cc2c3ccccc3cc3ccccc23)CC1

0.490

View
Cc1nc(CN2CCN(C(=O)CCl)CC2)cs1

0.490

View
O=C(CCl)N1CCN(Cc2cccc(Cl)c2)CC1

0.489

View
O=C(CCl)N1CCN(Cc2ccco2)CC1

0.489

View
O=C(CCl)N1CCN(c2ccccc2F)CC1

0.489

View
O=C(CCl)N1CCN(C(=O)c2cccs2)CC1

0.489

View
O=C(CN1CCN(C(=O)c2cccs2)CC1)N1CCN(Cc2cccc3ccccc23)CC1

0.482

View
O=C(c1cccs1)N1CCN(Cc2cccc3ccccc23)CC1

0.481

View
CC(C)(C)c1nc(CN2CCN(C(=O)CCl)CC2)cs1

0.481

View
COc1ccccc1CN1CCN(C(=O)CCl)CC1

0.480

View
O=C(CCl)N1CCN(CCOc2ccccc2)CC1

0.479

View
O=C(CCl)N1CCN(Cc2ccc(Cl)cc2)CC1

0.478

View
O=C(CCl)N1CCN(CCc2ccccc2)CC1

0.478

View
CCOC(=O)c1sc2ccccc2c1CN1CCN(C(=O)CCl)CC1

0.474

View
O=C(c1cccs1)N1CCN(Cc2c(O)ccc3ccccc23)CC1

0.473

View
Cc1ccc2ccccc2c1CN1CCN(C(=O)c2cccs2)CC1

0.473

View
O=C(COc1ccccc1)N1CCN(Cc2cccc3ccccc23)CC1

0.472

View
O=C(CO)N1CCN(Cc2sc3ccccc3c2Cl)CC1

0.472

View
CCC(=O)N1CCN(Cc2sc3ccccc3c2Cl)CC1

0.472

View
Cc1ccccc1CN1CCCN(C(=O)CCl)CC1

0.471

View
CCc1nc(CN2CCN(C(=O)CCl)CC2)cs1

0.471

View
O=C(CCl)N1CCN(Cc2nc(C(F)(F)F)cs2)CC1

0.471

View
NCC(=O)N1CCN(Cc2cccc3ccccc23)CC1

0.469

View
Cc1cccc(CN2CCN(C(=O)CCl)CC2)c1

0.469

View
O=C(CCl)N1CCN(Cc2ccc(Br)s2)CC1

0.469

View
O=C(CCl)N1CCN(Cc2c(F)cccc2Cl)CC1

0.469

View
O=C(CCl)N1CCN(CCc2cccs2)CC1

0.469

View
O=C(CCl)N1CCN(Cc2cscn2)CC1

0.469

View
O=C(CCl)N1CCN(Cc2cccc(O)c2)CC1

0.469

View
O=C(CCl)N1CCN(Cc2ccncc2)CC1

0.468

View
Cc1ccc(CN2CCN(C(=O)CCl)CC2)cc1

0.468

View
O=C(CCl)N1CCN(C(=O)c2ccccc2F)CC1

0.468

View
CCc1ccc(CN2CCN(C(=O)CCl)CC2)cc1

0.468

View
O=C(CCl)N1CCN(Cc2ccc(O)cc2)CC1

0.468

View
O=C(COc1cccc2ccccc12)N1CCN(Cc2cccs2)CC1

0.464

View
O=C(c1cc(O)cs1)N1CCN(Cc2cccc3ccccc23)CC1

0.464

View
O=C(Cc1cccs1)N1CCN(Cc2cccc3ccccc23)CC1

0.463

View
O=C(Cc1cccc2ccccc12)N1CCN(Cc2cccs2)CC1

0.463

View
O=C(CCCc1ccccc1)N1CCN(Cc2sccc2Cl)CC1

0.463

View
O=C(CCl)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1

0.463

View
O=C(CCl)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1

0.463

View
O=C(CCl)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1

0.463

View
CC(=O)CCC(=O)N1CCN(Cc2cccc3ccccc23)CC1

0.462

View
O=C(c1cccs1)N1CCN(Cc2ccc3ccccc3c2)CC1

0.462

View
CCC(=O)N1CCN(Cc2c(C)ccc3ccccc23)CC1

0.462

View
COCC(=O)N1CCN(Cc2c3ccccc3cc3ccccc23)CC1

0.462

View
O=C(CO)N1CCN(Cc2csc3ccccc23)CC1

0.462

View
CCC(=O)N1CCN(Cc2csc3ccccc23)CC1

0.462

View
O=C(Cc1ccccc1)N1CCN(Cc2sccc2Cl)CC1

0.462

View
CCC(=O)N1CCN(Cc2cccc3ccccc23)CC1

0.460

View
O=C(CO)N1CCN(Cc2cccc3ccccc23)CC1

0.460

View
CCOc1ccc(CN2CCN(C(=O)CCl)CC2)cc1

0.460

View
O=C(CCl)N1CCN(Cc2cccnc2)CC1

0.460

View
O=C(CCl)N1CCC(c2cccc3ccccc23)CC1

0.460

View
O=C(Cn1nc(Cl)sc1=O)N1CCN(Cc2cccc3ccccc23)CC1

0.458

View
O=C(CCl)N1CCN(c2ccccc2Cl)CC1

0.457

View
Cc1ccccc1N1CCN(C(=O)CCl)CC1

0.457

View
O=C(CCl)N1CCN(c2cccs2)CC1

0.457

View
Cc1csc(=O)n1CC(=O)N1CCN(Cc2cccc3ccccc23)CC1

0.456

View
Cc1nc(CC(=O)N2CCN(Cc3cccc4ccccc34)CC2)cs1

0.456

View
Cc1nc(CN2CCN(C(=O)Cc3cccc4ccccc34)CC2)cs1

0.456

View
O=C(Cc1cccs1)N1CCN(Cc2c(O)ccc3ccccc23)CC1

0.456

View
O=C(Cc1cccs1)N1CCN(Cc2sc3ccccc3c2Cl)CC1

0.456

View
COc1ccsc1CN1CCN(C(=O)c2cccc3ccccc23)CC1

0.456

View
CN(C)CC(=O)N1CCN(Cc2sc3ccccc3c2Cl)CC1

0.455

View
O=C(c1cccs1)N1CCN(Cc2sc3ccccc3c2Cl)CC1

0.455

View
O=C(CN1CCCC1)N1CCN(Cc2sc3ccccc3c2Cl)CC1

0.455

View
CCC(=O)N1CCN(Cc2c(O)ccc3ccccc23)CC1

0.453

View
Cc1ccc2ccccc2c1CN1CCN(C(=O)CN(C)C)CC1

0.453

View
Cc1ccc2ccccc2c1CN1CCN(C(=O)CO)CC1

0.453

View
CCC(=O)N1CCCN(Cc2c3ccccc3cc3ccccc23)CC1

0.453

View
O=C(NCCN1CCN(C(=O)CCl)CC1)c1ccccc1F

0.453

View
O=C(CCl)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1

0.451

View
O=C(CCl)N1CCN(c2nsc3ccccc23)CC1

0.451

View
COc1cccc(CN2CCN(C(=O)CCl)CC2)c1

0.451

View
CC(=O)N1CCN(Cc2c3ccccc3cc3ccccc23)CC1

0.449

View
O=C(CCl)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1

0.449

View
NC(=O)c1ccc(CN2CCN(C(=O)CCl)CC2)cc1

0.449

View
COc1ccc2ccccc2c1CN1CCN(C(=O)c2cccs2)CC1

0.448

View
O=C(Cc1c[nH]c2ccccc12)N1CCN(Cc2sccc2Cl)CC1

0.448

View
O=C(CCl)N1CCN(C(=O)Cc2cccs2)CC1

0.447

View
O=C(CCl)N1CCN(c2ccccc2O)CC1

0.447

View
O=C(Cc1ccsc1)N1CCN(Cc2cccc3ccccc23)CC1

0.446

View
O=C(Cc1cccc2ccccc12)N1CCN(Cc2ccsc2)CC1

0.446

View
O=C(CCc1cccs1)N1CCN(Cc2cccc3ccccc23)CC1

0.446

View
COCC(=O)N1CCN(Cc2sc3ccccc3c2Cl)CC1

0.446

View
O=C(c1cccc2ccccc12)N1CCN(Cc2sccc2Br)CC1

0.446

View

N1(CC2=CC3=CC(Cl)=CC=C3S2)CCN(C(C)=O)CC1

0.751

View
C(N1CCN(CC)CC1)(=O)C1SC2=C(C=CC=C2)C=1

0.732

View
C(N1CCN(C)CC1)(=O)C1SC2=C(C=CC=C2)C=1

0.724

View
C(N1CCN(CC#N)CC1)(C1SC2=C(C=CC=C2)C=1)=O

0.720

View
C(N1CCN(C(C)C)CC1)(=O)C1SC2=C(C=CC=C2)C=1

0.719

View


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