Molecule Details
| Molecular Properties | |
| SMILES: | O=C1Nc2cnccc2C12CCC2Cc1cccc(Cl)c1 |
| MW: | 298.09 |
| Fraction sp3: | 0.29 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 2 |
| TPSA: | 41.99 |
| cLogP: | 3.58 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
SAD-SAT-7d5528d9-40
0.470
SAD-SAT-7d5528d9-49
0.447
SAD-SAT-7d5528d9-36
0.432
SAD-SAT-7d5528d9-52
0.427
SAD-SAT-7d5528d9-39
0.409
SAD-SAT-7d5528d9-53
0.389
SAD-SAT-7d5528d9-38
0.367
SAD-SAT-7d5528d9-42
0.366
NIM-UNI-b87c0f72-2
0.344
NIM-UNI-b87c0f72-1
0.344
SAD-SAT-7d5528d9-54
0.337
SAD-SAT-7d5528d9-45
0.330
SAD-SAT-7d5528d9-46
0.326
SAD-SAT-7d5528d9-5
0.319
SAD-SAT-7d5528d9-15
0.319
JOH-UNI-61f30276-1
0.318
SAD-SAT-7d5528d9-44
0.318
SAD-SAT-7d5528d9-50
0.316
ALP-POS-95b75b4d-5
0.315
MAT-POS-bb423b95-4
0.315
JAN-GHE-83b26c96-17
0.314
SAD-SAT-7d5528d9-48
0.300
ALP-POS-95b75b4d-6
0.294
SAM-UNK-2684b532-12
0.292
JIN-POS-6dc588a4-4
0.292
RUB-POS-1325a9ea-19
0.292
MAT-POS-0bc33984-2
0.291
SAD-SAT-7d5528d9-17
0.290
MAT-POS-500ca5bf-2
0.289
EDG-MED-0da5ad92-2
0.289
MIC-UNK-42806bd5-1
0.289
ALP-POS-90e38439-2
0.289
JAN-GHE-f4ca5a00-14
0.289
ALP-POS-8b8a49e1-8
0.287
RUB-POS-1325a9ea-1
0.287
SAD-SAT-7d5528d9-18
0.287
MAT-POS-f7918075-7
0.287
EDG-MED-0da5ad92-1
0.284
JOH-UNI-abfda500-5
0.284
ANN-UNI-98d2bf15-3
0.284
JAN-GHE-83b26c96-15
0.284
JOH-UNI-abfda500-4
0.284
SAM-UNK-2684b532-14
0.283
ALP-POS-95b75b4d-8
0.282
SAM-UNK-2684b532-13
0.282
VLA-UCB-05e51b3f-3
0.282
BAR-COM-ebf5acce-1
0.281
PET-UNK-4dc48bbe-7
0.281
JAN-GHE-5a013bed-9
0.280
SAD-SAT-7d5528d9-35
0.280
MIC-UNK-d935700b-2
0.280
EDJ-MED-c8e7a002-16
0.280
JAN-GHE-83b26c96-18
0.279
PET-UNK-8df914d1-5
0.278
ALP-POS-f13221e1-4
0.278
MIC-UNK-10ba69b4-1
0.277
JOH-UNI-a38a7bdd-7
0.277
ALP-POS-8b8a49e1-7
0.277
ADA-UNI-f8e79267-12
0.277
EDG-MED-0da5ad92-6
0.276
TRY-UNI-714a760b-6
0.276
SAD-SAT-7d5528d9-12
0.276
SAD-SAT-7d5528d9-37
0.276
SAD-SAT-7d5528d9-13
0.276
JAN-GHE-5a013bed-8
0.274
SAD-SAT-7d5528d9-10
0.274
DAN-LON-a5fc619e-6
0.274
SAD-SAT-7d5528d9-6
0.273
MIC-UNK-4c7b8ba7-1
0.273
MAR-TRE-66ac689e-92
0.272
DAR-DIA-076fb6ea-10
0.271
SAD-SAT-7d5528d9-56
0.271
ALP-POS-90e38439-3
0.271
ALP-POS-8b8a49e1-5
0.271
MIC-UNK-42806bd5-2
0.271
MIC-UNK-fc94cdb5-1
0.271
SAD-SAT-7d5528d9-7
0.270
MAT-POS-0bc33984-1
0.270
SAD-SAT-c989feaa-3
0.269
JIN-POS-6dc588a4-6
0.269
MIC-UNK-5ce21166-1
0.268
SAD-SAT-7d5528d9-4
0.267
DAR-DIA-076fb6ea-13
0.267
MAK-UNK-6ca90168-23
0.267
ALP-POS-91609ae9-1
0.267
EDJ-MED-6e43a462-6
0.266
PET-UNK-bbe8d7ff-1
0.266
PET-UNK-bbe8d7ff-2
0.266
EDJ-MED-239d8ca5-1
0.265
MAT-POS-14ad9fe9-1
0.265
JOH-UNI-a38a7bdd-8
0.265
MAT-POS-bb423b95-5
0.264
SAM-UNK-2684b532-11
0.264
JIN-POS-6dc588a4-3
0.264
JOH-UNI-a38a7bdd-4
0.263
JOH-UNI-a38a7bdd-3
0.263
ADA-UNI-f8e79267-11
0.263
MAT-POS-f7918075-8
0.263
SAD-SAT-7d5528d9-23
0.263
ADA-UNI-f8e79267-8
0.263