Molecular Properties | |
SMILES: | O=C1CCN(c2cccc(Cl)c2)C(=O)N1c1cccnc1 |
MW: | 301.06 |
Fraction sp3: | 0.13 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 53.51 |
cLogP: | 3.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-5eca9d1d-3
0.594
VLA-UCB-1dbca3b4-13
0.513
JAG-UCB-cedd89ab-1
0.427
PET-UNK-4dc48bbe-7
0.408
PET-UNK-7a31b064-5
0.395
PET-UNK-4dc48bbe-1
0.392
PET-UNK-7a31b064-6
0.386
EDJ-MED-e66f2cc5-2
0.385
MAR-TRE-74c6519b-18
0.375
JAN-GHE-83b26c96-18
0.373
PET-UNK-7be94445-2
0.366
PET-UNK-4dc48bbe-5
0.364
PET-UNK-4dc48bbe-3
0.358
VLA-UCB-1dbca3b4-9
0.357
PET-UNK-7be94445-1
0.357
DAR-DIA-0f7b7cd9-7
0.357
VLA-UCB-1dbca3b4-3
0.357
PET-UNK-94460c07-5
0.350
DAR-DIA-fc970077-1
0.348
PET-UNK-94460c07-6
0.345
DAR-DIA-5a24bef0-12
0.341
PET-UNK-4dc48bbe-9
0.338
DAR-DIA-fc970077-6
0.333
DAR-DIA-fc970077-10
0.333
ERI-UCB-ce40166b-24
0.330
RAI-NOV-c18e0037-3
0.322
RAI-NOV-c18e0037-6
0.322
MAR-TRE-74c6519b-26
0.320
DAR-DIA-5a24bef0-11
0.319
VLA-UCB-eb340134-4
0.319
ERI-UCB-ce40166b-22
0.316
MAR-TRE-2fd8122f-39
0.307
MAR-TRE-04c86cea-13
0.307
DAR-DIA-5d6f1b43-12
0.305
EMI-TUK-b780fc43-1
0.305
EMI-TUK-6c6b371f-1
0.305
SAD-SAT-135344c3-8
0.304
DAR-DIA-fc970077-11
0.304
DAR-DIA-fc970077-5
0.303
ERI-UCB-d6de1f3c-2
0.301
PET-UNK-b870596d-2
0.300
ADA-UCB-6c2cb422-7
0.299
EDJ-MED-49816e9b-6
0.294
PET-UNK-b870596d-1
0.292
DAR-DIA-b80f1cd7-2
0.292
DAR-DIA-0f7b7cd9-10
0.289
NIM-UNI-534877e5-1
0.287
DAR-DIA-5d6f1b43-10
0.286
MIC-UNK-df342a3f-1
0.284
EDG-MED-0da5ad92-2
0.282
DAR-DIA-fc970077-3
0.282
MAR-TRE-d0525fbf-84
0.281
KEI-TRE-d5e2018a-94
0.277
JOR-UNI-2fc98d0b-7
0.276
JAN-GHE-83b26c96-19
0.276
MIC-UNK-5ce21166-1
0.276
DAR-DIA-23aa0b97-14
0.276
WAR-XCH-eb7b662f-7
0.276
VLA-UCB-1dbca3b4-4
0.276
MAK-UNK-9e4a73aa-3
0.275
BAR-COM-4e090d3a-60
0.275
ERI-UCB-d6de1f3c-1
0.274
CHR-SOS-7098f804-12
0.273
DAR-DIA-fc970077-4
0.272
MIC-UNK-25b9c114-1
0.271
DAR-DIA-fc970077-8
0.268
NIM-UNI-0ea3b7bf-5
0.268
DAR-DIA-fc970077-7
0.268
MAR-TRE-b77b7921-87
0.267
TAT-ENA-80bfd3e5-49
0.267
SAN-PRI-c9355cc8-2
0.266
JAG-UCB-4709a583-1
0.265
BEN-DND-61647d40-19
0.265
SIM-SYN-a98e6a07-5
0.264
MED-COV-4280ac29-3
0.263
MAR-UCB-d1255a91-2
0.262
MAK-UNK-9e4a73aa-18
0.262
MAK-UNK-9e4a73aa-19
0.261
MAR-TRE-a9136c7b-42
0.261
SAM-UNK-2684b532-14
0.261
PET-UNK-5eca9d1d-2
0.261
MAK-UNK-9e4a73aa-35
0.261
PET-UNK-7a31b064-3
0.261
BEN-VAN-5787f7d3-10
0.260
DAR-DIA-5d6f1b43-33
0.260
NIM-UNI-534877e5-2
0.259
BEN-DND-61647d40-20
0.259
JAN-GHE-83b26c96-16
0.259
EDJ-MED-e66f2cc5-1
0.258
MAK-UNK-9e4a73aa-36
0.258
BEN-VAN-5787f7d3-12
0.257
MIC-UNK-25b9c114-2
0.257
MAK-UNK-c8c8f7e2-1
0.256
DAR-DIA-fc970077-12
0.256
PET-UNK-e8c7a26f-2
0.256
JAN-GHE-d851b096-2
0.256
PET-UNK-eda34f30-1
0.256
SIM-SYN-a98e6a07-6
0.255
BEN-VAN-5787f7d3-11
0.255
MAR-UCB-d1255a91-1
0.255