Molecule Details

Molecular Properties
SMILES:
CC1C(O)CCCN1Cc1ccccc1
MW: 205.301
Fraction sp3: 0.54
HBA: 2
HBD: 1
Rotatable Bonds: 2
TPSA: 23.47
cLogP: 2.0318
Covalent Warhead:
Covalent Fragment: ✔️
Source
Enamine BB: EN300-223218
Enamine SCR: Z2217052426
Mcule: MCULE-8396632250
MolPort: MolPort-029-694-345
CC1C(O)CCCN1Cc1ccccc1

MAK-UNK-6435e6c2-9
1.000

View
CC1C(Oc2ccccn2)CCCN1Cc1ccccc1

MAK-UNK-1bb0b7ee-8
0.485

View
CC1C(OC2CS(=O)(=O)C2)CCCN1Cc1ccccc1

MAK-UNK-1bb0b7ee-11
0.477

View
CC1C(OCC2CN(Cc3ccccc3)CCO2)CCCN1Cc1ccccc1

MAK-UNK-a7992eb3-20
0.416

View
CC1C(OC2CCN(Cc3ccsc3)CC2)CCCN1Cc1ccccc1

MAK-UNK-a7992eb3-13
0.403

View
CC1C(OCC2(c3ccccn3)CCCC2)CCCN1Cc1ccccc1

MAK-UNK-1bb0b7ee-4
0.397

View
CC(=O)N1CCN(C(c2cccs2)C2C(O)CCCN2Cc2ccccc2)CC1

MAK-UNK-b1d4dcd7-6
0.380

View
CC(=O)N[C@H](C(=O)NCC#CBr)[C@H](C)OC1CCCN(Cc2ccccc2)C1C

MAK-UNK-1bb0b7ee-13
0.376

View
O=C(C1C(O)CCCN1Cc1ccccc1)N1CCN(Cc2cccs2)CC1

MAK-UNK-b1d4dcd7-5
0.362

View
CC1C(Oc2ccccc2NC(=O)C2CCN(C(=O)CCl)CC2)CCCN1Cc1ccccc1

MAK-UNK-a7992eb3-5
0.360

View
CC(=O)N1CCN(Cc2cccs2)C(C2C(O)CCCN2Cc2ccccc2)C1

MAK-UNK-b1d4dcd7-9
0.357

View
Cc1cc(CN(CC2C(O)CCCN2Cc2ccccc2)C(=O)CCl)no1

MAK-UNK-987948f6-1
0.357

View
CC(=O)NC(Cc1ccc(OC2CCCN(Cc3ccccc3)C2C)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-26
0.356

View
O=C(CC1C(O)CCCN1Cc1ccccc1)N1CCN(Cc2cccs2)CC1

MAK-UNK-b1d4dcd7-4
0.354

View
CC(=O)N1CCN(Cc2cccs2)CC1C1C(O)CCCN1Cc1ccccc1

MAK-UNK-b1d4dcd7-10
0.353

View
NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCCN1Cc1ccccc1

MAR-SOS-c7881798-11
0.347

View
NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCCN1Cc1ccccc1

MAR-SOS-82e3a7c7-10
0.347

View
Cc1cc(CN(CC2C(O)CCCN2Cc2ccccc2)C(=O)NC2CC2)no1

IFT-SAT-023cfffe-2
0.345

View
CNC(=O)OC1CCN(Cc2ccccc2)CC1

GIA-UNK-595fac82-5
0.338

View
CC(C)C[C@@H]1CN(C(=O)CCl)CCN1Cc1ccccc1

SAD-SAT-c989feaa-4
0.338

View
CN(Cc1cc(CC2C(O)CCCN2Cc2ccccc2)on1)C(=O)NC1CC1

IFT-SAT-023cfffe-1
0.337

View
O=C(S)C1CCN(Cc2ccccc2)CC1

GIA-UNK-5ec6c2b8-3
0.333

View
CC1C(Oc2ccccc2CNc2nc3ccccc3[nH]2)CCCN1Cc1ccccc1

MAK-UNK-1bb0b7ee-15
0.330

View
O=C(NCc1ccccc1)C(=O)C(Cc1ccccc1)NC(=O)C1CCCN1Cc1ccccc1

MAR-SOS-c7881798-9
0.313

View
CC(=O)N1CCN(Cc2ccccc2)C2NC(=O)N(c3cccnc3)C21

NIM-UNI-36e12f95-2
0.313

View
O=C(NCc1ccccc1)C(=O)C(Cc1ccccc1)NC(=O)C1CCCN1Cc1ccccc1

MAR-SOS-82e3a7c7-9
0.313

View
OCC1CN(Cc2ccccc2)CCO1

AAR-POS-0daf6b7e-30
0.312

View
CC(=O)N1CCC(Cc2ccccc2)CC1

DRA-CSI-47e38074-2
0.305

View
c1ccc(CN2CCNCC2)cc1

DRA-CSI-47e38074-1
0.304

View
O=C(CCl)N1CCN(Cc2ccccc2)CC1

MAK-UNK-7c9d1431-24
0.295

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

ANT-OPE-c0c3e7cc-1
0.294

View
CC(C)(C)C(=O)N1CCC(Cc2ccccc2)CC1

DRA-CSI-47e38074-12
0.292

View
C=CC(=O)N1CCN(Cc2ccccc2)CC1

SAD-SAT-1f400d17-1
0.290

View
CCNC(=N)N1CCC(Cc2ccccc2)CC1

DRA-CSI-47e38074-16
0.284

View
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCc1ccccc1CN1CCCC[C@@H]1C

FRA-BIO-8bf1eac9-8
0.283

View
O=C(OCc1ccccc1)C1CCCN1c1cnc(CCl)[nH]1

MAR-TRE-87acfbcc-18
0.280

View
N=C(N)N1CCC(Cc2ccccc2)CC1

DRA-CSI-47e38074-5
0.279

View
CC1C(O)CCCN1C(C(=O)N1CCN(Cc2cccs2)CC1)c1ccccc1

MAK-UNK-b1d4dcd7-7
0.276

View
COC(=O)N1CCC(Cc2ccccc2)CC1

DRA-CSI-47e38074-3
0.273

View
CC(CCc1ccccc1)N1CCN(C(=O)CCl)CC1

MAK-UNK-af83ef51-2
0.271

View
Cc1cc(CN(C(=O)NC2CC2)C2(C)C(O)CCCN2Cc2ccccc2)no1

IFT-SAT-023cfffe-5
0.269

View
O=C1C(c2cccc(Cl)c2)N(Cc2ccccc2)CCN1c1cccnc1

ERI-UCB-ce40166b-24
0.267

View
Cc1cccc(-c2cc(CN3CCC(O)CC3)nn2Cc2ccccc2)c1

MAK-UNK-e4a48a85-4
0.262

View
CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1

WIL-LEE-23e8b574-1
0.262

View
O=C(S)C1CCN(C(=O)Cc2ccccc2)CC1

GIA-UNK-5ec6c2b8-5
0.258

View
c1ccc(CN2CCOC(COc3ccccn3)C2)cc1

MAK-UNK-a7992eb3-23
0.256

View
O=S(=O)(NCCc1ccccc1)C1CC(O)CCN1Cc1ccsc1

MAK-UNK-31051d4e-5
0.256

View
CC(=O)N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1

AAR-POS-fca48359-5
0.254

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

MAK-UNK-10dfa458-9
0.254

View
O=C(OCc1ccccc1)N1CCC(Cc2ccccc2)CC1

DRA-CSI-47e38074-4
0.254

View
CS(=O)(=O)N(CCc1ccccc1)CC1CCN(C(=O)CCl)CC1

DUN-NEW-f8ce3686-25
0.253

View
O=C(CCl)N1CC2CC1CN2Cc1cnc(Cc2ccccc2)s1

MAK-UNK-ec98eaf6-11
0.247

View
Nc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)cn1

MAR-TRE-74c6519b-24
0.247

View
O=C(c1cc[nH]c1)N1CCC(Cc2ccccc2)CC1

DRA-CSI-47e38074-10
0.247

View
O=C(CCl)NOCc1ccccc1

MAK-UNK-f983951f-13
0.246

View
O=C(CCl)N1CC2CC1CN2Cc1ncc(Cc2ccccc2)s1

MAK-UNK-ec98eaf6-2
0.244

View
CCc1cc(N2CCCCCC2)c2c(c1)c(CN(C)C)cn2Cc1ccccc1

DAR-DIA-eace69ff-12
0.244

View
O=C(Nc1ccc(F)c(Cl)c1)N1CCC(Cc2ccccc2)CC1

DRA-CSI-47e38074-9
0.244

View
O=C(CCc1ccccc1)NC1CCN(C(=O)CCl)CC1

MAR-TRE-6a44bbf2-9
0.243

View
CC1C(O)CCCN1C(c1ccccc1)c1cc(CN(C)C(=O)NC2CC2)no1

IFT-SAT-023cfffe-4
0.242

View
C[C@H](N[C@@H](CCc1ccccc1)C(=O)OCS)C(=O)N1CCC[C@H]1C(=O)O

DAV-UNI-bdcebb58-4
0.241

View
CN1CCCCCCN(Cc2cccnc2)[C@H]2CCC[C@H]2C1=O

MAT-POS-ea426761-26
0.241

View
O=S1(=O)CC(OCC2CN(Cc3ccccc3)CCO2)C1

MAK-UNK-a7992eb3-22
0.241

View
COc1ccc(NC(=O)N2CCC(Cc3ccccc3)CC2)cc1

DRA-CSI-47e38074-6
0.241

View
COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1

DRA-CSI-47e38074-13
0.240

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

BEN-DND-76ad4ac9-9
0.240

View
Cc1cccc(CN2CC3CC2CN3C(=O)CCl)c1

MAK-UNK-3f402c2b-3
0.240

View
CC1CN(Cc2cccc(Cl)c2)CCN1C(=O)CCl

MED-COV-4280ac29-13
0.240

View
CNC(=O)OC1CCN(S(=O)(=O)c2ccccc2)CC1

GIA-UNK-595fac82-4
0.239

View
CN(C(=O)C1CCN(C(=O)CCl)CC1)c1ccccc1

LON-WEI-120e5cf5-5
0.239

View
O=C(CCl)N1CCCC(n2cc(COCc3ccccc3)nn2)C1

STE-KUL-2e0d2e88-6
0.239

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

PAU-UNI-6d15a9f5-3
0.239

View
CN(Cc1ccccc1)C1CCCN(C(=O)Cn2nc3ccccc3n2)C1

MAT-POS-ea426761-98
0.238

View
C=CC(=O)N1CCN(Cc2ccc(C3CC3)cc2)[C@H](C)C1

ANT-OPE-3756b28b-1
0.237

View
O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ncccc21)NC1CCCCC1

MAR-TRE-f6f5f473-89
0.236

View
O=C(CCl)NC(=O)OCc1ccccc1

MAK-UNK-f983951f-5
0.234

View
CCc1cc(OC2CCCCCC2)c2c(c1)c(CN(C)C)cn2Cc1ccccc1

DAR-DIA-eace69ff-9
0.233

View
CCc1cc(OC2CCCCC2)c2c(c1)c(CN(C)C)cn2Cc1ccccc1

DAR-DIA-eace69ff-14
0.233

View
CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1CCCC1C(=O)O

AAR-POS-fca48359-3
0.233

View
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O

DAV-UNI-bdcebb58-1
0.233

View
OB(O)c1cc(OCc2ccccc2)ccc1F

SER-UNI-400afb01-5
0.232

View
CC(=O)N[C@H](C(=O)NCC#CBr)[C@@H](C)OCC1CN(Cc2ccccc2)CCO1

MAK-UNK-a7992eb3-21
0.232

View
O=C(NC1(C(=O)O)CCN(Cc2ccccc2)CC1)c1cncnc1

MAR-TRE-66ac689e-83
0.231

View
CC(CCc1ccccc1)N1CC2CC1CN2C(=O)CCl

MAK-UNK-df1a028e-4
0.231

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

STE-KUL-2e0d2e88-7
0.231

View
CN(CC(=O)C1CCCN1C(=O)c1ccccc1)C(=O)CCl

GIA-UNK-d2defdc3-9
0.231

View
CSc1cc(OC2CCCCCC2)c2c(c1)c(CN(C)C)cn2Cc1ccccc1

DAR-DIA-eace69ff-8
0.231

View
O=C1C(Nc2ncnc3[nH]cnc23)CCN1Cc1ccccc1

COM-UCB-8c7d23dc-6
0.230

View
Cc1cccc(CN2CCN(C(=O)CCl)C[C@H]2CC(C)C)c1

SAD-SAT-c989feaa-8
0.229

View
Cc1cccc(CN2CCN(C(=O)CCl)C[C@H]2CC(N)=O)c1

STU-CHA-0be58c98-1
0.229

View
O=C(CCl)N1CCN(S(=O)(=O)Cc2ccccc2)CC1

MAK-UNK-7c9d1431-23
0.229

View
CC(=O)Nc1cccc(N2CCCC2C)c1

MAK-UNK-7a704a63-12
0.229

View
O=C(CCl)N1CCN(S(=O)(=O)Cc2ccccc2)CC1

MAR-TRE-6a44bbf2-28
0.229

View
CCc1cc(OC2CCN(C)CC2)c2c(c1)c(CN(C)C)cn2Cc1ccccc1

DAR-DIA-eace69ff-7
0.228

View
O=C(NS(=O)(=O)N1CCN(Cc2ccccc2)CC1)c1cncnc1

MAR-TRE-66ac689e-43
0.228

View
NC(=O)[C@@H]1CN(Cc2cccnc2)C[C@H]1c1ccccc1

DUN-NEW-d8381160-1
0.228

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

PAU-UNI-6d15a9f5-1
0.227

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

MAR-TRE-4b834d9a-28
0.227

View
CC(=O)Nc1cccc(N2CCCC2CO)c1

MAK-UNK-c8c8f7e2-25
0.227

View
O=C(c1ccc(C(F)(F)F)cc1)N1CCC(Cc2ccccc2)CC1

DRA-CSI-47e38074-14
0.227

View
CC1=CC=C(CN2CCCC(O)C2C)C=C1

0.673

View
CC1C(O)CCCN1CC1=CC=CC(CN2CCCC(O)C2C)=C1

0.660

View
CCC1=CC=C(CN2CCCC(O)C2C)C=C1

0.660

View
CC1C(O)CCCN1CC1=CC=C(CO)C=C1

0.660

View
CC1C(O)CCCN1CC1=CC=C(Cl)C=C1

0.660

View
CC1C(O)CCCN1CC1=CC=C(I)C=C1

0.660

View
CC1C(O)CCCN1CC1=CN(CC2=CC=CC=C2)N=C1

0.650

View
CC1C(O)CCCN1CC1=CC=NC=C1

0.647

View
CC1C(O)CCCN1CC1=CC=C(CF)C=C1

0.647

View
CC1C(O)CCCN1CC1=CC=C(F)C=C1

0.647

View
CC1C(O)CCCN1CC1=CC=C(Br)C=C1

0.647

View
CC1C(O)CCCN1CC1=CC=C(C(=O)C2=CC=CC=C2)C=C1

0.638

View
CC1=CC(CN2CCCC(O)C2C)=CC=C1

0.630

View
CC1C(O)CCCN1CC1=CC=CC(I)=C1

0.630

View
CCCC1=CC=C(CN2CCCC(O)C2C)C=C1

0.623

View
CC(C)C1=CC=C(CN2CCCC(O)C2C)C=C1

0.623

View
CSC1=CC=C(CN2CCCC(O)C2C)C=C1

0.623

View
CC1C(O)CCCN1CC1=CC=C(N(C)C)C=C1

0.623

View
COC1=CC=C(CN2CCCC(O)C2C)C=C1

0.623

View
COCC1=CC=C(CN2CCCC(O)C2C)C=C1

0.623

View
C#CC1=CC=C(CN2CCCC(O)C2C)C=C1

0.623

View
CC1C(O)CCCN1CC1=CC=CC(Cl)=C1

0.618

View
CC1C(O)CCCN1CC1=CC=CC=C1CN1CCCC(O)C1C

0.612

View
CC1C(O)CCCN1CC1=CC=CC(O)=C1

0.611

View
CC1C(O)CCCN1CC1=CC=C(C2CCC2)C=C1

0.611

View
CC1C(O)CCCN1CC1=CC=CN=C1

0.611

View
CSCC1=CC=C(CN2CCCC(O)C2C)C=C1

0.611

View
CC1C(O)CCCN1CC1=CC=C(C(F)(F)F)C=C1

0.611

View
CC1C(O)CCCN1CC1=CC=C(C(F)F)C=C1

0.611

View
CC1C(O)CCCN1CC1=NN=NN1CC1=CC=CC=C1

0.607

View
CC1C(O)CCCN1CC1=CC=C(N2CCCC2)C=C1

0.600

View
CC1C(O)CCCN1CC1=CC=C(CC#N)C=C1

0.600

View
CC1C(O)CCCN1CC1=CC=C(S(C)(=O)=O)C=C1

0.600

View
CC1C(O)CCCN1CC1=CC=C(S(C)=O)C=C1

0.600

View
CC1C(O)CCCN1CC1=CC=C(C(N)=O)C=C1

0.600

View
CC1C(O)CCCN1CC1=NN(CC2=CC=CC=C2)C=C1

0.597

View
CC1=CC=C(CN2CCCC(O)C2C)C=C1C

0.593

View
CCC1=CC=CC(CN2CCCC(O)C2C)=C1

0.589

View
CC1C(O)CCCN1CC1=CC=C(CN2CCCCC2)C=C1

0.589

View
CC1C(O)CCCN1CC1=CC=CC(F)=C1

0.589

View
CC1C(O)CCCN1CC1=CC=CC(Br)=C1

0.589

View
CCN(CC)C1=CC=C(CN2CCCC(O)C2C)C=C1

0.589

View
CCOC1=CC=C(CN2CCCC(O)C2C)C=C1

0.589

View
CC1C(O)CCCN1CC1=CC=C([N+](=O)[O-])C=C1

0.589

View
CC1C(O)CCCN1CC1=CN(CC2=CC=CC=C2)N=N1

0.587

View
CC1C(O)CCCN1CC1=CC(Cl)=CC(CN2CCCC(O)C2C)=C1

0.585

View
CC1C(O)CCCN1CC1=CC(Cl)=CC(Cl)=C1

0.585

View
CC1C(O)CCCN1CC1=CN(C)C=C1

0.585

View
CC1C(O)CCCN1CC1=CN=C(C2=CC=CC=C2)N=C1

0.583

View
CC1C(O)CCCN1CC1=CC=C(N2CCCCC2)C=C1

0.579

View
CCN(C)C1=CC=C(CN2CCCC(O)C2C)C=C1

0.579

View
CC(C)OC1=CC=C(CN2CCCC(O)C2C)C=C1

0.579

View
CC1C(O)CCCN1CC1=CC=C(C(=O)NC2=CC=CC=C2)C=C1

0.578

View
CC1C(O)CCCN1CC1=C(Cl)N(CC2=CC=CC=C2)N=C1

0.578

View
CC1C(O)CCCN1CC1=CSC=C1

0.574

View
CC1C(O)CCCN1CC1=NN=C(CC2=CC=CC=C2)O1

0.574

View
CC1C(O)CCCN1CC1=CC=C(C2=CC=CC=C2C#N)C=C1

0.571

View
CC1C(O)CCCN1CC1=CC=C(C2=CC=NC=C2)C=C1

0.569

View
CC1C(O)CCCN1CC1=CC=C(CN2CCOCC2)C=C1

0.569

View
CC1=CC(C)=CC(CN2CCCC(O)C2C)=C1

0.566

View
CC1C(O)CCCN1CC1=CC=CC=C1Cl

0.564

View
CC1C(O)CCCN1CC1=CC=CC(C2CC2)=C1

0.559

View
COC1=CC=CC(CN2CCCC(O)C2C)=C1

0.559

View
CCCC1=CC=CC(CN2CCCC(O)C2C)=C1

0.559

View
CC(C)C1=CC=CC(CN2CCCC(O)C2C)=C1

0.559

View
COCC1=CC=CC(CN2CCCC(O)C2C)=C1

0.559

View
CC1C(O)CCCN1CC1=CC=CC(N(C)C)=C1

0.559

View
CC1C(O)CCCN1CC1=CC=C(N2CCN(C)CC2)C=C1

0.559

View
CC1C(O)CCCN1CC1=CC=CC=C1O

0.556

View
CC1C(O)CCCN1CC1=CN(C2=CC=CC=C2)N=C1

0.556

View
CC1C(O)CCCN1CC1=CC=C2C=CC=CC2=C1

0.550

View
CC1C(O)CCCN1CC1=CC=CC(C#N)=C1

0.550

View
CC1C(O)CCCN1CC1=CC=CC(C(F)F)=C1

0.550

View
CC1C(O)CCCN1CC1=CC=CC(C(F)(F)F)=C1

0.550

View
COC1=CC=CC=C1C1=CC=C(CN2CCCC(O)C2C)C=C1

0.547

View
CC1=CC=CC=C1CN1CCCC(O)C1C

0.545

View
CC1C(O)CCCN1CCCC1=CC=CC=C1

0.544

View
CCC1=CC=CC=C1CN1CCCC(O)C1C

0.536

View
CC1C(O)CCCN1CC1=CC=CC=C1I

0.536

View
CC(CC1=CC=CC=C1)CN1CCCC(O)C1C

0.534

View
CC1C(O)CCCN1CCOCC1=CC=CC=C1

0.533

View
CC1C(O)CCCN1CC1=CC=CC(CN2CCCCC2)=C1

0.532

View
CCSC1=CC=CC(CN2CCCC(O)C2C)=C1

0.532

View
CC1C(O)CCCN1CC1=CC=CC=C1Br

0.526

View
CC1C(O)CCCN1CC1=CC=CC=N1

0.526

View
CC1C(O)CCCN1CC1=CC=CC=C1F

0.526

View
CC1C(O)CCCN1CCCCC1=CC=CC=C1

0.525

View
CC1C(O)CCCN1CC(O)CC1=CC=CC=C1

0.525

View
CC1C(O)CCCN1C[C@H](O)CC1=CC=CC=C1

0.525

View
CC1C(O)CCCN1C[C@@H](O)CC1=CC=CC=C1

0.525

View
CC1C(O)CCCN1C(=O)C1CCCN1CC1=CC=CC=C1

0.516

View
CC1C(O)CCCN1CC1=CC=CC(CN2CCOCC2)=C1

0.516

View
CC1C(O)CCCN1CCSCC1=CC=CC=C1

0.508

View
CC1C(O)CCCN1CC1=CC=CC(OC2CCCC2)=C1

0.508

View
CC1C(O)CCCN1C(=O)C1CCCCN1CC1=CC=CC=C1

0.500

View
CC1C(O)CCCN1CCN(C)CC1=CC=CC=C1

0.500

View
CC1C(O)CCCN1CCCSCC1=CC=CC=C1

0.484

View
C[C@@H]1[C@H](O)CCN1CC1=CC=C(CN2CC[C@@H](O)[C@H]2C)C=C1

0.469

View
C[C@@H]1[C@H](O)CCN1CC1=CC=C(C2=CC=CC=C2)C=C1

0.466

View
C[C@@H]1[C@H](O)CCN1CC1=CC=CC(CN2CC[C@@H](O)[C@H]2C)=C1

0.418

View
CC1C(O)CCCN1Cc1ccccc1

1.000

View
OC[C@@H]1CCCN1Cc1ccccc1 |r|

0.491

View
OC[C@H]1CCCN1Cc1ccccc1 |r|

0.491

View
OCC1CCCN1Cc1ccccc1

0.491

View
Cl.OCC1CCCN1Cc1ccccc1

0.481

View
CC(O)C1CCCCN1Cc1ccccc1

0.448

View
OCC1CCCCN1Cc1ccccc1

0.439

View
NCC(O)C1CCCN1Cc1ccccc1

0.433

View
O[C@H]1CC2CCC1N(Cc1ccccc1)C2 |r,THB:8:7:1.2:5.4|

0.431

View
O[C@@H]1CC2CCC1N(Cc1ccccc1)C2 |THB:8:7:1.2:5.4|

0.431

View
OC1CC2CCC1N(Cc1ccccc1)C2 |TLB:8:7:1.2:5.4,THB:0:1:7.15:5.4|

0.431

View
OC1C[C@H]2CC[C@@H]1N(Cc1ccccc1)C2 |r,TLB:0:1:7.15:5.4,THB:8:7:1.2:5.4|

0.431

View
O[C@H]1CCCN(Cc2ccccc2)C1 |r|

0.404

View
O[C@@H]1CCCN(Cc2ccccc2)C1 |r|

0.404

View
OC1CCCN(Cc2ccccc2)C1

0.404

View
Cl.OC1CCCN(Cc2ccccc2)C1

0.397

View
CC1CCN(Cc2ccccc2)CC1O

0.397

View
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1Cc1ccccc1

0.373

View
OC1CCCN(C1)C1CCN(Cc2ccccc2)CC1

0.343

View
O[C@@H]1CN(Cc2ccccc2)CC[C@H]1NCc1ccccc1 |r|

0.328

View
CC1(O)CCCN(Cc2ccccc2)C1

0.323

View
CN(Cc1ccccc1)C1CCCC1O

0.322

View
CC1(CO)CCCCN1Cc1ccccc1

0.317

View
O[C@@H]1CCCC[C@H]1NCc1ccccc1 |r|

0.295

View
OC1CCCCC1NCc1ccccc1

0.295

View
O[C@H]1CCCC[C@@H]1NCc1ccccc1 |r|

0.295

View
Cc1ccc(CN2CCCCC2CO)cc1

0.292

View
Cl.O[C@H]1CCCC[C@H]1NCc1ccccc1 |r|

0.290

View
Cc1cccc(CN2CCCC(O)C2)c1

0.288

View
Cc1ccccc1CN1CCCC(O)C1

0.288

View
Cc1ccc(CN2CCCC(O)C2)cc1

0.281

View
[Cl-].OC1CCC[NH+](Cc2ccccc2)C1

0.266

View
C[C@@H]1CC[C@@H](O)CN1Cc1ccc(cc1)C#C |r|

0.265

View
CC(N1CCCC(O)C1)c1ccccc1

0.262

View
CCc1ccc(CN2CCCC(O)C2)cc1

0.262

View
[Cl-].OC1C[N+]2(Cc3ccccc3)CCC1CC2

0.254

View
[Cl-].OC1C[N@+]2(Cc3ccccc3)CC[C@H]1CC2 |r,wU:4.3,wD:14.13,(14.7,-14.18,;14.3,-9.27,;12.95,-10.07,;12.95,-11.62,;11.62,-12.57,;11.62,-13.93,;10.3,-14.74,;10.3,-16.28,;8.96,-17.04,;7.62,-16.28,;7.62,-14.74,;8.96,-13.93,;10.3,-11.62,;10.3,-10.07,;11.62,-9.32,;10.97,-10.39,;12.21,-11.2,)|

0.254

View
OC1CCCN(Cc2ccc(cc2)C#N)C1

0.254

View
Cc1cc(C)cc(CN2CCCC(O)C2)c1

0.224

View
N1(CC2=CC=CC=C2)CCCCC1C

0.510

View
C(OCC)C1N(CC2=CC=CC=C2)CCCC1

0.413

View
C(OC(C)C)C1N(CC2=CC=CC=C2)CCCC1

0.413

View
C(OC)C1N(CC2=CC=CC=C2)CCCC1

0.410

View
C(OCCC)C1N(CC2=CC=CC=C2)CCCC1

0.373

View
C(OCOC)C1N(CC2=CC=CC=C2)CCCC1

0.373

View
C(OCSC)C1N(CC2=CC=CC=C2)CCCC1

0.373

View
C(OCC(C)C)C1N(CC2=CC=CC=C2)CCCC1

0.368

View
C(OC(CC)C)C1N(CC2=CC=CC=C2)CCCC1

0.368

View
C(OCCCC)C1N(CC2=CC=CC=C2)CCCC1

0.362

View
C(OCCC(C)C)C1N(CC2=CC=CC=C2)CCCC1

0.357

View
C(OCCF)C1N(CC2=CC=CC=C2)CCCC1

0.353

View
C(OCC=C)C1N(CC2=CC=CC=C2)CCCC1

0.353

View
C(OCC#C)C1N(CC2=CC=CC=C2)CCCC1

0.353

View
C(OCCCCC)C1N(CC2=CC=CC=C2)CCCC1

0.352

View
C(OCC=O)C1N(CC2=CC=CC=C2)CCCC1

0.348

View
C(OCC#N)C1N(CC2=CC=CC=C2)CCCC1

0.348

View
C(OCCCF)C1N(CC2=CC=CC=C2)CCCC1

0.343

View
C(OCCCCCC)C1N(CC2=CC=CC=C2)CCCC1

0.342

View


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