Molecule Details
| Molecular Properties | |
| SMILES: | O=C1Nc2cnccc2C2(Cc3cccc(Cl)c3)CCC1C2 |
| MW: | 312.1 |
| Fraction sp3: | 0.33 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 2 |
| TPSA: | 41.99 |
| cLogP: | 3.97 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
SAD-SAT-7d5528d9-53
0.553
SAD-SAT-7d5528d9-54
0.477
SAD-SAT-7d5528d9-40
0.449
SAD-SAT-7d5528d9-38
0.429
SAD-SAT-7d5528d9-47
0.427
SAD-SAT-7d5528d9-5
0.424
SAD-SAT-7d5528d9-50
0.419
SAD-SAT-7d5528d9-49
0.413
SAD-SAT-7d5528d9-36
0.385
SAD-SAT-7d5528d9-46
0.374
SAD-SAT-7d5528d9-56
0.358
SAD-SAT-7d5528d9-42
0.354
SAD-SAT-7d5528d9-10
0.347
SAD-SAT-7d5528d9-17
0.337
SAD-SAT-7d5528d9-23
0.337
SAD-SAT-7d5528d9-45
0.333
MAT-POS-500ca5bf-2
0.326
ALP-POS-90e38439-2
0.326
MIC-UNK-42806bd5-1
0.326
SAD-SAT-7d5528d9-4
0.324
SAD-SAT-7d5528d9-12
0.320
SAD-SAT-7d5528d9-15
0.309
MAT-POS-bb423b95-4
0.305
ALP-POS-95b75b4d-5
0.305
SAD-SAT-7d5528d9-20
0.304
NAU-LAT-a5c7d7cb-14
0.299
ROB-UNI-daaf9793-2
0.299
SAD-SAT-7d5528d9-35
0.298
EDG-MED-0da5ad92-6
0.297
JOH-UNI-61f30276-1
0.295
SAD-SAT-7d5528d9-13
0.294
ALP-POS-8b8a49e1-8
0.293
MIC-UNK-4c7b8ba7-1
0.293
SAD-SAT-7d5528d9-18
0.293
RUB-POS-1325a9ea-1
0.293
MAT-POS-f7918075-7
0.293
MIC-UNK-fc94cdb5-1
0.292
ALP-POS-90e38439-1
0.292
VLA-UCB-1dbca3b4-1
0.292
RUB-POS-1325a9ea-23
0.292
NAU-LAT-a5c7d7cb-13
0.292
SAD-SAT-7d5528d9-6
0.291
ANN-UNI-98d2bf15-3
0.290
JOH-UNI-abfda500-4
0.290
MAT-POS-0bc33984-1
0.290
JOH-UNI-abfda500-5
0.290
BAR-COM-ebf5acce-1
0.287
ALP-POS-95b75b4d-6
0.286
MIC-UNK-d935700b-2
0.286
NIM-UNI-b87c0f72-2
0.283
NIM-UNI-b87c0f72-1
0.283
BAR-COM-ebf5acce-13
0.280
JAN-GHE-83b26c96-17
0.277
SAD-SAT-7d5528d9-7
0.276
BAR-COM-ebf5acce-11
0.275
SAM-UNK-2684b532-13
0.275
ALP-POS-95b75b4d-8
0.275
SAD-SAT-7d5528d9-39
0.272
RUB-POS-1325a9ea-19
0.271
MAT-POS-bb423b95-5
0.271
ALP-POS-f13221e1-4
0.271
ALP-POS-8b8a49e1-7
0.270
MAT-POS-0bc33984-2
0.269
TRY-UNI-714a760b-6
0.269
MIC-UNK-8373f97b-5
0.268
JAN-GHE-f4ca5a00-14
0.268
SAD-SAT-7d5528d9-11
0.267
SAD-SAT-7d5528d9-44
0.266
MIC-UNK-8373f97b-4
0.265
ALP-POS-8b8a49e1-5
0.264
ALP-POS-90e38439-3
0.264
MIC-UNK-42806bd5-2
0.264
SAM-UNK-2684b532-14
0.263
MAK-UNK-6ca90168-23
0.260
PET-UNK-bbe8d7ff-1
0.260
PET-UNK-bbe8d7ff-2
0.260
EDJ-MED-6e43a462-6
0.260
EDJ-MED-c8e7a002-16
0.260
MAT-POS-14ad9fe9-1
0.260
JAN-GHE-83b26c96-18
0.258
SAM-UNK-2684b532-11
0.258
JIN-POS-6dc588a4-4
0.258
JIN-POS-6dc588a4-3
0.258
SAM-UNK-2684b532-12
0.258
MAT-POS-f7918075-4
0.257
MIC-UNK-8971c93c-1
0.257
MAT-POS-f7918075-8
0.257
JOH-UNI-a38a7bdd-9
0.257
BAR-COM-ebf5acce-9
0.257
SAD-SAT-7d5528d9-21
0.255
RUB-POS-1325a9ea-24
0.255
ALP-POS-95b75b4d-7
0.255
JAN-GHE-5a013bed-8
0.253
EDG-MED-0da5ad92-2
0.253
SAD-SAT-7d5528d9-48
0.253
MAT-POS-bb423b95-1
0.253
SAD-SAT-7d5528d9-24
0.253
SAD-SAT-7d5528d9-51
0.252
BAR-COM-ebf5acce-10
0.252
VLA-UCB-05e51b3f-3
0.252