Molecule Details

Molecular Properties
SMILES:
Cn1ccc(C(=O)NC[C@@H]2CCCO2)n1
MW: 209.249
Fraction sp3: 0.6
HBA: 4
HBD: 1
Rotatable Bonds: 3
TPSA: 56.15
cLogP: 0.3289
Covalent Warhead:
Covalent Fragment:
Source
Enamine SCR: Z2643472210
Enamine Extended REAL: s_22____11950580____2989518
Mcule: MCULE-6467743628
Mcule Ultimate: WBAZBPMBDLSPCX-QMMMGPOBSA-N
MolPort: MolPort-044-872-433
CC(=O)Nc1ccc(-n2cnc(C(=O)NC[C@@H]3CCCO3)c2)nc1

MAR-TRE-9c797165-16
0.475

View
CCC(=O)Nc1ccc(-n2cnc(C(=O)NC[C@@H]3CCCO3)c2)nc1

MAR-TRE-67513f76-1
0.470

View
CC(C)C(=O)Nc1ccc(-n2cnc(C(=O)NC[C@@H]3CCCO3)c2)nc1

MAR-TRE-9c797165-90
0.452

View
Cn1cc(CCCc2ccccc2)c(C(=O)NC[C@@H]2CCCO2)n1

PAU-UNI-6d15a9f5-1
0.450

View
NS(=O)(=O)c1ccccc1C(=O)NC[C@@H]1CCCO1

WIL-NOV-066c4001-1
0.429

View
O=C(NCC1CCCO1)c1conc1CCl

MAR-TRE-a78003aa-100
0.429

View
O=C(NCc1cccc(C(=O)NCC2CCCO2)c1)c1cncnc1

MAR-TRE-799db12b-18
0.386

View
O=C(NCC1CCCCO1)c1conc1CCl

MAR-TRE-a78003aa-48
0.365

View
CC(C)CC(NC1CC[C@@H](CNC(=O)c2ccn(C)n2)O1)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)O)[C@@H](C)O

PAU-UNI-6d15a9f5-5
0.349

View
O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)N2CCSc3ncccc32)cc1

MAR-TRE-d0525fbf-51
0.340

View
Cc1ccc(-n2c(=O)n(CC(=O)NC[C@@H]3CCCO3)c3cccnc32)cc1

MAR-TRE-3e4e6814-60
0.333

View
O=C(CN1C(=O)CSc2ncccc21)NC[C@@H]1CCCO1

MAR-TRE-67513f76-29
0.330

View
CC(C)CC(COC[C@H]1CC[C@@H](CNC(=O)c2ccn(C)n2)O1)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)O)[C@@H](C)O

PAU-UNI-6d15a9f5-7
0.327

View
CCc1nnc2c(=O)n(CC(=O)NC[C@@H]3CCCO3)c3cccnc3n12

MAR-TRE-7f7bb9f0-34
0.326

View
O=C(CCCN1C(=O)CSc2ncccc21)NC[C@@H]1CCCO1

MAR-TRE-9c797165-50
0.326

View
CC(C)CC(NC1CC[C@@H](CNC(=O)c2ccn(C)n2)O1)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)O)[C@@H](C)O

PAU-UNI-6d15a9f5-4
0.322

View
O=C(Cn1c(=O)n(-c2ccc(F)cc2)c2ncccc21)NC[C@@H]1CCCO1

MAR-TRE-67513f76-62
0.319

View
O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2ncccc21)NC[C@@H]1CCCO1

MAR-TRE-4b834d9a-28
0.309

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NCC1CCCO1)c1cccnc1

LON-WEI-adc59df6-32
0.309

View
CC(C)CC(COC[C@H]1CC[C@@H](CNC(=O)c2ccn(C)n2)O1)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)O)[C@@H](C)O

PAU-UNI-6d15a9f5-6
0.302

View
CC(CNCC1CCCO1)N1CCN(C)CC1

MAK-UNK-b1917cc8-4
0.301

View
Cn1nccc1C1OCCC1CNC(=O)c1cncnc1

MAR-TRE-e82e6c98-10
0.301

View
O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ncccc21)NC[C@@H]1CCCO1

MAR-TRE-d0525fbf-32
0.300

View
COC(=O)C(CC1CCCO1)NC(=O)c1cncnc1

MAR-TRE-e82e6c98-34
0.300

View
Cn1ccc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NCc2ccccn2)n1

MAR-SOS-82e3a7c7-6
0.290

View
Cn1ccc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NCc2ccccn2)n1

MAR-SOS-c7881798-6
0.290

View
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC1CCCO1)c1cncnc1

MAR-TRE-a9136c7b-38
0.289

View
CN1CCN(C(=O)C(=O)C(Cc2ccccc2)NC(=O)c2ccn(C)n2)CC1

MAR-SOS-82e3a7c7-5
0.287

View
CN1CCN(C(=O)C(=O)C(Cc2ccccc2)NC(=O)c2ccn(C)n2)CC1

MAR-SOS-c7881798-10
0.287

View
COc1cc(C(=O)NCC2CN(C(C)=O)CCO2)nc(OC)n1

MAR-TRE-dab8f6ea-23
0.284

View
Cn1cc2c(n1)C(=O)N(C[C@@H]1CCCO1)CN2

PAU-UNI-6d15a9f5-2
0.284

View
O=C(NC[C@H]1CCCO1)/C(=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)NC(=O)c1ccccc1

BRU-UNI-248b30bc-18
0.281

View
CC(=O)NCCC1CCc2ccc3c(c21)CCC3

ANT-OPE-997bdc93-1
0.278

View
CCC(=O)NCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1

JUA-UNI-b93289a4-1
0.273

View
Cn1cc2c(n1)C(=O)N(C[C@@H]1CCCO1)CN2CCc1ccccc1

PAU-UNI-6d15a9f5-3
0.272

View
CCN1C(=O)COC(CNC(=O)c2cncnc2)C1c1nccn1C

MAR-TRE-be9ff7d2-100
0.272

View
CC1OCC2(CCC(CNC(=O)c3cncnc3)O2)C1C

MAR-TRE-e82e6c98-40
0.271

View
C=CC(=O)NCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1

JUA-UNI-a9dfaed1-1
0.270

View
CCC(=O)NCCC1CCc2ccc3c(c21)CCC3

ANT-OPE-997bdc93-2
0.265

View
O=C(NCC1CN(C2CC2)C(=O)O1)c1cncnc1

MAR-TRE-e82e6c98-48
0.263

View
O=C(NCC1CCC2(CCCOC2)O1)c1cncnc1

MAR-TRE-c317dd82-4
0.262

View
CN1CCOC(CNC(=O)c2cncnc2)C1c1ccnn1C

MAR-TRE-e82e6c98-62
0.258

View
O=C(CNC(=O)c1ccn([C@H]2CCCNC2)n1)Nc1cccnc1

MAR-TRE-9c797165-47
0.258

View
Cn1ccc(C2CNCC2C(=O)NC(=O)c2cncnc2)n1

MAR-TRE-c317dd82-72
0.256

View
O=C1NC(=O)C2(CCOC(CNC(=O)c3cncnc3)C2)N1

MAR-TRE-e82e6c98-36
0.256

View
O=C(NCC1CCCCC1)c1cccnc1

SAN-PRS-52b81272-1
0.253

View
O=C(NCC1CCC2(CCOC2)O1)c1cncnc1

MAR-TRE-c317dd82-40
0.253

View
Cc1n[nH]c(C2CCC(CNC(=O)c3cncnc3)O2)n1

MAR-TRE-be9ff7d2-51
0.253

View
CCN1CCOC(CNC(=O)c2cncnc2)C1c1cncn1C

MAR-TRE-e82e6c98-3
0.253

View
CCN1C(=O)COC(CNC(=O)c2cncnc2)C1c1cncn1C

MAR-TRE-be9ff7d2-80
0.247

View
CCN1CCOC(CNC(=O)c2cncnc2)C1c1ccnn1C

MAR-TRE-e82e6c98-4
0.247

View
CCN1C(=O)COC(CNC(=O)c2cncnc2)C1c1ccnn1C

MAR-TRE-be9ff7d2-24
0.245

View
COCc1nc2c(NC(=O)[C@@H]3CCCO3)cccn2n1

MAR-TRE-7f7bb9f0-32
0.244

View
CN1C(=O)COC(CNC(=O)c2cncnc2)C1c1cncn1C

MAR-TRE-e82e6c98-37
0.244

View
CCc1n[nH]c(C2CCC(CNC(=O)c3cncnc3)O2)n1

MAR-TRE-c317dd82-50
0.244

View
COCCN1CCOC(CNC(=O)c2cncnc2)C1c1cnn(C)c1

MAR-TRE-be9ff7d2-33
0.242

View
CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3

JOH-MSK-ec639444-2
0.241

View
CCCn1cc(CCNC(=O)C2CCCO2)c2cccnc21

MAR-TRE-3159af1a-97
0.240

View
CCn1nccc1C1C(CNC(=O)c2cncnc2)OCC(=O)N1C

MAR-TRE-be9ff7d2-96
0.240

View
CN1C(=O)COC(CNC(=O)c2cncnc2)C1c1ccnn1C

MAR-TRE-c317dd82-51
0.239

View
Cc1ccc(C2OCCCC2NC(=O)c2cncnc2)cn1

MAR-TRE-a9136c7b-96
0.239

View
CC(=O)N1CC(CNC(=O)c2cncnc2)OC2COCC21

MAR-TRE-c317dd82-33
0.239

View
O=C1NC(=O)C2(CCCC2CNC(=O)c2cncnc2)N1

MAR-TRE-4f781e27-76
0.238

View
O=C(NCC1CC2(CCO1)NC(=O)N(Cc1ccccc1)C2=O)c1cncnc1

MAR-TRE-799db12b-21
0.238

View
CCCCNC(=O)C1CCN(c2ccc(NC(=O)[C@@H]3CCCO3)cn2)CC1

MAR-TRE-d0525fbf-87
0.237

View
CCC(C)(C(=O)NC1CCCCC1)N(CC1CCCO1)C(=O)Cc1cccs1

MAT-POS-b5746674-13
0.237

View
O=C(NCC1CN(c2ncnc3[nH]cnc23)CCO1)c1cncnc1

MAR-TRE-c317dd82-29
0.237

View
O=C(NCc1cccn2nccc12)c1cnc(C2CC2)[nH]c1=O

MAR-TRE-c8530538-21
0.237

View
Cn1cncc1C1C(CNC(=O)c2cncnc2)CCCN1C1CC1

MAR-TRE-a9136c7b-83
0.237

View
CCn1c(CSc2nc(C)c(C)n2CC2CCCO2)nc2cc(S(=O)(=O)N(C)C)ccc21

LON-WEI-ff7b210a-10
0.236

View
Cn1cc(NC(=O)N(Cc2ccco2)CC2CCCO2)c2ccccc2c1=O

MAT-POS-b5746674-37
0.235

View
O=C(NCc1cccc(NC(=O)C2CCCO2)c1)c1cncnc1

MAR-TRE-799db12b-4
0.234

View
Nc1ccn(C2CCC(CO)O2)c(=O)n1

MAR-TRE-ebcc4ad6-34
0.234

View
Cn1ccn(-c2ccn(C3CCC(CO)O3)c(=O)n2)c1=[Au+]Cl

MAR-TRE-4f39ef4a-47
0.233

View
CN1C(=O)CC(CNC(=O)c2cncnc2)C1c1ccnn1C

MAR-TRE-c317dd82-60
0.233

View
O=C(NCC1CCC(c2ncn[nH]2)O1)c1cncnc1

MAR-TRE-e82e6c98-61
0.233

View
CN(C)S(=O)(=O)NC(CNC(=O)c1cncnc1)C1CCCC1

MAR-TRE-4f781e27-77
0.233

View
O=C(NCC1CCC(CN2C(=O)NC3(CCOC3)C2=O)CC1)c1cncnc1

MAR-TRE-8190bb11-2
0.232

View
CN1C(=O)CC(CNC(=O)c2cncnc2)C1c1ccccc1

MAR-TRE-8190bb11-46
0.230

View
O=C(NCc1cc(C2OCCO2)ccc1F)c1cncnc1

MAR-TRE-799db12b-7
0.230

View
O=C(NCC1CCC(c2nc[nH]n2)O1)c1cncnc1

MAR-TRE-e82e6c98-2
0.230

View
O=C(NCC1CS(=O)(=O)c2ccccc2O1)c1cncnc1

MAR-TRE-66ac689e-67
0.230

View
CC(C)CC(=O)Nc1ccc(-n2cnc(C(=O)NC3CCCCC3)c2)nc1

MAR-TRE-f6f5f473-98
0.229

View
Cc1cccn2c(CNC(=O)c3cnc(C4CC4)[nH]c3=O)cnc12

MAR-TRE-c8530538-41
0.229

View
CC(OCC1CCCCO1)C(=O)N(CCc1ccccc1)Cc1cccnc1

BAR-COM-4e090d3a-55
0.228

View
O=C(NCC1CCCN(c2nccn3cnnc23)C1)c1cncnc1

MAR-TRE-a9136c7b-6
0.228

View
Cn1cc(S(=O)(=O)NC(=O)c2cncnc2)c(C2CCCC2)n1

MAR-TRE-4f781e27-89
0.227

View
Cn1ccc(C(NC(=O)c2cncnc2)c2ccc(F)cc2)n1

MAR-TRE-66ac689e-100
0.226

View
Cc1ccc(C(=O)NCCN2CCOCC2)cc1C

MAR-LAB-ca4662a6-5
0.225

View
CN1C(=O)CC(CNC(=O)NC(=O)c2cncnc2)C1C1CCCNC1

MAR-TRE-a9136c7b-72
0.224

View
COC(=O)C(CNC(=O)c1cncnc1)C1CCOC1

MAR-TRE-e82e6c98-56
0.224

View
CN(C)C(=O)c1nn(C2CCOCC2)cc1CNC(=O)c1cncnc1

MAR-TRE-c317dd82-67
0.223

View
Cc1ccc(Cn2c(=O)n(CCNC(=O)[C@@H]3CCCO3)c3ncccc32)cc1

MAR-TRE-3e4e6814-70
0.223

View
Cn1cc(C2C(CNC(=O)c3cncnc3)CC(=O)N2C(C)(C)C)cn1

MAR-TRE-be9ff7d2-77
0.222

View
Cc1c(C2C(CNC(=O)c3cncnc3)CC(=O)N2C)cnn1C

MAR-TRE-e82e6c98-82
0.222

View
CC(C)(C)NC(=O)CN1CCC(CNC(=O)c2cncnc2)CC1

MAR-TRE-c317dd82-6
0.221

View
Cn1ccc(C(NC(=O)c2cncnc2)c2ccc(Cl)cc2)n1

MAR-TRE-66ac689e-82
0.221

View
COc1cc(OC)cc(N2CCC(CNC(=O)c3cncnc3)C2)c1

MAR-TRE-be9ff7d2-95
0.220

View
C[C@@H]1OCCN[C@@H]1C(=O)NCC(=O)Nc1cccnc1

MAR-TRE-9c797165-38
0.220

View
Cn1cncc1CNC(=O)N1CCC[C@@H](F)C1

RAF-POL-950dada1-5
0.220

View
CN1C=CC(C(=O)NCC2CCCO2)=N1

1.000

View
CN1C=CC(C(=O)NCC2CCCCO2)=N1

0.868

View
CCN1C=CC(C(=O)NCC2CCCO2)=N1

0.683

View
CCN1C=CC(C(=O)NC[C@H]2CCCO2)=N1

0.683

View
CC(C)N1C=CC(C(=O)NCC2CCCO2)=N1

0.672

View
CC(C)N1C=CC(C(=O)NC[C@H]2CCCO2)=N1

0.672

View
CN1C=CC(C(=O)NCCC2CCCO2)=N1

0.667

View
CCCN1C=CC(C(=O)NCC2CCCO2)=N1

0.667

View
CCCN1C=CC(C(=O)NC[C@H]2CCCO2)=N1

0.667

View
CN1N=CC(C(=O)NCC2CCCO2)=N1

0.661

View
COCN1C=CC(C(=O)NCC2CCCO2)=N1

0.656

View
COCN1C=CC(C(=O)NC[C@H]2CCCO2)=N1

0.656

View
O=C(NCC1CCCO1)C1=NN(C(F)F)C=C1

0.656

View
CN1C=CC(C(=O)NC2=CC=C(NC(=O)NCC3CCCO3)C=C2)=N1

0.647

View
CN(C)CCN1C=CC(C(=O)NCC2CCCO2)=N1

0.646

View
CN(C)CCN1C=CC(C(=O)NC[C@H]2CCCO2)=N1

0.646

View
CN1N=C(C(=O)NCC2CCCO2)C=CC1=O

0.645

View
CN1C=CC(C(=O)NCC2=CC=CC(C(=O)NCC3CCCO3)=C2)=N1

0.644

View
O=C(NC[C@H]1CCCO1)C1=NN(CCF)C=C1

0.641

View
O=C(NCC1CCCO1)C1=NN(CCF)C=C1

0.641

View
CN1C=CC(C(=O)NC[C@H]2COCCO2)=N1

0.639

View
CN1C=CC(C(=O)NCC2COCCO2)=N1

0.639

View
CN1CCOC(CNC(=O)C2=NN(C)C=C2)C1

0.639

View
COCCN1C=CC(C(=O)NCC2CCCO2)=N1

0.636

View
CN1C=CC(C(=O)NC2=CC=CC=C2C(=O)NCC2CCCO2)=N1

0.634

View
CN1C=CC(C(=O)NCC2CNCCCO2)=N1

0.631

View
CCC(CC)N1C=CC(C(=O)NCC2CCCO2)=N1

0.631

View
CCC(CC)N1C=CC(C(=O)NC[C@H]2CCCO2)=N1

0.631

View
CC(C)CN1C=CC(C(=O)NC[C@H]2CCCO2)=N1

0.631

View
CC(C)CN1C=CC(C(=O)NCC2CCCO2)=N1

0.631

View
O=C(NCC1CCCO1)C1=NN(CC(F)(F)F)C=C1

0.631

View
O=C(NC[C@H]1CCCO1)C1=NN(CC(F)(F)F)C=C1

0.631

View
CN1C=CC(C(=O)NCC2OCCCO2)=N1

0.627

View
CN1C=CC(C2=CC(C(=O)NCC3CCCO3)=NO2)=N1

0.627

View
CN1C=CC(C2=CC(C(=O)NC[C@H]3CCCO3)=NO2)=N1

0.627

View
CN1C=CC(C(=O)NCC2CS(=O)(=O)CCO2)=N1

0.625

View
O=C(NC[C@H]1CCCO1)C1=NN(C2=CC=NC=C2)C=C1

0.621

View
O=C(NCC1CCCO1)C1=NN(C2=CC=NC=C2)C=C1

0.621

View
CN1C=CC(C(=O)NCC2CNCCO2)=N1

0.619

View
CC1CCCC(CNC(=O)C2=NN(C)C=C2)O1

0.619

View
CN1C=CC(C(=O)NC2=CC=CC(C(=O)NCC3CCCO3)=C2)=N1

0.616

View
CN1C=CC(C(=O)NC2=CC=CC(C(=O)NC[C@H]3CCCO3)=C2)=N1

0.616

View
O=C(NCC1CCCO1)C1=NN(C2CCCC2)C=C1

0.615

View
O=C(NC[C@H]1CCCO1)C1=NN(C2CCCC2)C=C1

0.615

View
O=C(NC[C@H]1CCCO1)C1=NN(C2=CC=CC=C2)C=C1

0.612

View
O=C(NCC1CCCO1)C1=NN(C2=CC=CC=C2)C=C1

0.612

View
CC1CCC(CNC(=O)C2=NN(C)C=C2)O1

0.607

View
CN1C=CC(C(=O)NCC2COCO2)=N1

0.607

View
CN1C=C(C(=O)NCC2CCCO2)N=N1

0.607

View
O=C(NCC1CCCO1)C1=NN(CC(F)F)C=C1

0.606

View
O=C(NC[C@H]1CCCO1)C1=NN(CC(F)F)C=C1

0.606

View
CN1C=CC(C(=O)NCCC2CCCCO2)=N1

0.603

View
CN1C=CC(C(=O)OCC(=O)NCC2CCCO2)=N1

0.597

View
CC(OC(=O)C1=NN(C)C=C1)C(=O)NCC1CCCO1

0.597

View
CC1=CC(C(=O)NCC2CCCO2)=NN1C

0.597

View
CC1=CC(C(=O)NC[C@H]2CCCO2)=NN1C

0.597

View
CN1C=CC(C(=O)NCC2CCC2)=N1

0.596

View
O=C(NCC1CCCO1)C1=NN(C2=CC=C(Br)C=C2)C=C1

0.594

View
O=C(NC[C@H]1CCCO1)C1=NN(C2=CC=C(Br)C=C2)C=C1

0.594

View
CCN1C=CC(C(=O)NCC2CCCCO2)=N1

0.594

View
CC(C)C1OCCCC1CNC(=O)C1=NN(C)C=C1

0.591

View
CCN1CCOC(CNC(=O)C2=NN(C)C=C2)C1

0.591

View
CCN1N=C(C(=O)NCC2CCCO2)C=CC1=O

0.591

View
CN1C=CC(C(=O)NCCOCC2CCCO2)=N1

0.588

View
CN1C=CC(C(=O)NCCCOCC2CCCO2)=N1

0.588

View
CN1C=CC(C(=O)NCC2CCCOC2)=N1

0.587

View
CN1C=CC(CC(=O)NCC2CCCO2)=N1

0.587

View
CN1C=CC(CC(=O)NC[C@H]2CCCO2)=N1

0.587

View
CC(C)N1C=CC(C(=O)NCC2CCCCO2)=N1

0.585

View
CN1C=CC(C(=O)NCC2CN(C(=O)C3=NN(C)C=C3)CCO2)=N1

0.582

View
CCCN1C=CC(C(=O)NCC2CCCCO2)=N1

0.582

View
CN1C=CC(C(=O)NCC2CCCOC2C(C)(C)C)=N1

0.582

View
CN1C=CC(C(=O)NCC2CCC(CNC(=O)C3=NN(C)C=C3)CC2)=N1

0.579

View
CN1C=CC(C(=O)NCC2CCC=CO2)=N1

0.578

View
CN1C=CC(C(=O)NC2=C(C(=O)NCC3CCCO3)C3=C(CCCC3)S2)=N1

0.577

View
CN1C=CC(C(=O)NCC2CCCC2)=N1

0.576

View
CN1C=CC(C(=O)NCCCC2CCCCO2)=N1

0.576

View
CN1C=CC(C(=O)NCC2CCOCC2)=N1

0.574

View
COCN1C=CC(C(=O)NCC2CCCCO2)=N1

0.574

View
C[C@@H]1CCO[C@@H]1CNC(=O)C1=NN(C)C=C1

0.571

View
O=C(NCC1CCCCO1)C1=NN(C(F)F)C=C1

0.569

View
CN1C=CC(C(=O)NCC2=CC=C(S(=O)(=O)NCC3CCCO3)C=C2)=N1

0.566

View
CN1C=CC(C(=O)NCC2=CC=CC=C2OCC(=O)NCC2CCCO2)=N1

0.562

View
CN1N=C(C(=O)NCC2CCCCO2)C=CC1=O

0.561

View
O=C(NCC1CCCCO1)C1=NN(CCF)C=C1

0.559

View
CN1C=CC(C(=O)NCC2CCCCC2)=N1

0.557

View
CN1C=CC(C(=O)NCC2CN(C(=O)OC(C)(C)C)CCCO2)=N1

0.554

View
CN1C=CC(NC(=O)NCC2CCCO2)=N1

0.554

View
CCC(CC)N1C=CC(C(=O)NCC2CCCCO2)=N1

0.551

View
CC(C)CN1C=CC(C(=O)NCC2CCCCO2)=N1

0.551

View
CN1C=CC(C2=CC(C(=O)NCC3CCCCO3)=NO2)=N1

0.549

View
CN1C=CC(C(=O)NCC2CCCCCCC2)=N1

0.548

View
CN1C=CC(C(=O)NCCS(=O)(=O)NCC2CCCCO2)=N1

0.548

View
CN1C=CC(C(=O)NC2=CC=CC(C(=O)NCC3CCCCO3)=C2)=N1

0.545

View
O=C(NCC1CCCCO1)C1=NN(C2CCCC2)C=C1

0.544

View
CN1C=CC(C(=O)NCC2CN(CC3=CC=CC=C3)CCCO2)=N1

0.539

View
CN1C=CC(C(=O)NCC2CCCOC2C2=CC=CC=C2)=N1

0.534

View
CC1=CC(C(=O)NCC2CCCO2)=NC(C)=N1

0.515

View
CC1=CC(C(=O)NC[C@H]2CCCO2)=NC(C)=N1

0.515

View
CN1C=CC(CC(=O)NCC2CCCCO2)=N1

0.507

View
Cn1ccc(n1)C(=O)NCC1CCCO1

1.000

View
CCn1ccc(n1)C(=O)NCC1CCCO1

0.683

View
CC(C)n1ccc(n1)C(=O)NCC1CCCO1

0.672

View
COCCn1ccc(n1)C(=O)NCC1CCCO1

0.636

View
Cn1ccc(n1)C(=O)NCC1CNCCCO1

0.631

View
Cc1cc(nn1C)C(=O)NCC1CCCO1

0.597

View
CC(C)n1ccc(n1)C(=O)NCC1CCCCO1

0.585

View
Cn1cc(Br)c(n1)C(=O)NCC1CCCO1

0.556

View
Cn1cc(I)c(n1)C(=O)NCC1CCCO1

0.547

View
CC(C)n1nc(cc1C)C(=O)NC[C@H]1CCCO1

0.545

View
Cn1ccc(n1)C(=O)NCC1CCC2(CNC2)O1

0.544

View
CCC(CC)CN1CCOC(CNC(=O)c2ccn(C)n2)C1

0.542

View
Cl.Cn1cc(N)c(n1)C(=O)NCC1CCCO1

0.538

View
Cc1c(Br)c(nn1C)C(=O)NCC1CCCO1

0.500

View
CCn1cc(N)c(n1)C(=O)NCC1CCCO1

0.478

View
CCn1cc(Cl)c(n1)C(=O)NCC1CCCO1

0.478

View
CC(NC(=O)c1ccn(C)n1)C1CCCO1

0.478

View
Cl.CCn1cc(N)c(n1)C(=O)NCC1CCCO1

0.471

View
Cn1ccc(n1)C(=O)NC(C1CCCO1)C1(CO)CCC1

0.440

View
Cn1ccc(n1)C(=O)N[C@@H]1CC[C@H]1O |r|

0.419

View
Cn1ccc(n1)C(=O)N[C@@H]1COCC[C@@H]1OCC1CCC1 |r|

0.361

View
CC(NC(=O)c1nn(C)cc1Br)C1CCCO1

0.282

View
COC(CNC(=O)c1ccn(n1)C(C)C)C1CC1

0.282

View
CCOC1(CNC(=O)c2ccn(n2)C(C)C)CCCC1

0.268

View
C(NCC1OCCC1)(=O)C1=NN(C)C=C1

1.000

View
C(NCC1OCCC1)(=O)C1=NN(CC)C=C1

0.683

View
C(NCC1OCCC1)(=O)C1=NN(C(C)C)C=C1

0.672

View
C(NCC1OCCC1)(=O)C1=NN(C)C(C)=C1

0.597

View
C(NCC1OCCC1)(=O)C1N(C)N=CC=1

0.548

View
C(NCC1OCCC1)(=O)C1=NN(C)C=C1Cl

0.547

View
C(NCC1OCCC1)(=O)C1=NN(CC)C(C)=C1

0.545

View
C(NCC1OCCC1)(=O)C1NN=CC=1

0.500

View
C(N(C)CC1OCCCC1)(=O)C1=NN(C)C=C1

0.493

View
C(NCC1OCCC1)(=O)C1N(CC)N=CC=1

0.493

View
C(NCCOC1CCC1)(=O)C1=NN(C)C=C1

0.470

View
C(NC1CCCOC1)(=O)C1=NN(C)C=C1

0.470

View
C(NCC1(OCC)CCC1)(=O)C1=NN(C)C=C1

0.448

View
C(NCCCCC)(=O)C1=NN(C)C=C1

0.435

View
C(NCC(C(C)C)OC)(=O)C1=NN(C)C=C1

0.415

View
C(NCCC(OC)C)(=O)C1=NN(C)C=C1

0.403

View
C(NCCCOC(C)C)(=O)C1=NN(C)C=C1

0.397

View
C(NCC(OC)CCSC)(=O)C1=NN(C)C=C1

0.370

View
C(NCCOC1CCC1)(=O)C1=NN(CC)C=C1

0.312

View
C(NCC(C(C)C)OC)(=O)C1=NN(CC)C=C1

0.250

View


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