Molecule Details
| Molecular Properties | |
| SMILES: | Clc1cccc(CC23CCC(CNc4cnccc42)C3)c1 |
| MW: | 298.12 |
| Fraction sp3: | 0.39 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 2 |
| TPSA: | 24.92 |
| cLogP: | 4.44 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
SAD-SAT-7d5528d9-54
0.561
SAD-SAT-7d5528d9-52
0.553
SAD-SAT-7d5528d9-38
0.407
SAD-SAT-7d5528d9-5
0.402
SAD-SAT-7d5528d9-50
0.398
SAD-SAT-7d5528d9-40
0.396
SAD-SAT-7d5528d9-47
0.389
SAD-SAT-7d5528d9-46
0.382
SAD-SAT-7d5528d9-23
0.359
SAD-SAT-7d5528d9-49
0.347
SAD-SAT-7d5528d9-17
0.344
SAD-SAT-7d5528d9-56
0.337
SAD-SAT-7d5528d9-36
0.337
SAD-SAT-7d5528d9-42
0.333
SAD-SAT-7d5528d9-10
0.326
SAD-SAT-7d5528d9-4
0.317
SAD-SAT-7d5528d9-15
0.316
SAD-SAT-7d5528d9-12
0.313
SAD-SAT-7d5528d9-20
0.311
JOH-UNI-abfda500-5
0.311
ANN-UNI-98d2bf15-3
0.311
JOH-UNI-abfda500-4
0.311
EDG-MED-0da5ad92-6
0.303
SAD-SAT-7d5528d9-13
0.300
SAD-SAT-7d5528d9-18
0.299
MAT-POS-bb423b95-4
0.298
ALP-POS-95b75b4d-5
0.298
SAD-SAT-7d5528d9-45
0.298
ALP-POS-95b75b4d-6
0.292
ALP-POS-f13221e1-4
0.290
TRY-UNI-714a760b-6
0.289
JOH-UNI-61f30276-1
0.287
RUB-POS-1325a9ea-1
0.286
MAT-POS-f7918075-7
0.286
BAR-COM-ebf5acce-13
0.286
ALP-POS-8b8a49e1-8
0.286
SAD-SAT-7d5528d9-7
0.282
JIN-POS-6dc588a4-6
0.281
SAM-UNK-2684b532-13
0.281
ALP-POS-95b75b4d-8
0.281
MAK-UNK-6ca90168-23
0.280
MIC-UNK-d935700b-2
0.278
MAT-POS-14ad9fe9-1
0.277
RUB-POS-1325a9ea-19
0.277
MAT-POS-bb423b95-5
0.277
ALP-POS-90e38439-2
0.273
MIC-UNK-42806bd5-1
0.273
MAT-POS-500ca5bf-2
0.273
SAD-SAT-7d5528d9-6
0.272
MAT-POS-bb423b95-1
0.271
ALP-POS-8b8a49e1-5
0.270
ALP-POS-90e38439-3
0.270
MIC-UNK-42806bd5-2
0.270
JAN-GHE-83b26c96-17
0.269
MIC-UNK-5ce21166-1
0.267
SAD-SAT-7d5528d9-35
0.267
EDJ-MED-c8e7a002-16
0.265
MAT-POS-f7918075-5
0.265
NAU-LAT-a5c7d7cb-14
0.265
ROB-UNI-daaf9793-2
0.265
NIM-UNI-b87c0f72-2
0.264
NIM-UNI-b87c0f72-1
0.264
EDG-MED-0da5ad92-14
0.264
MIC-UNK-b12b7f76-2
0.263
SAM-UNK-2684b532-11
0.263
JIN-POS-6dc588a4-4
0.263
JIN-POS-6dc588a4-3
0.263
SAM-UNK-2684b532-12
0.263
MAT-POS-f7918075-8
0.263
ALP-POS-8b8a49e1-7
0.261
MAT-POS-0bc33984-2
0.261
JAN-GHE-f4ca5a00-14
0.260
ALP-POS-95b75b4d-7
0.260
PET-UNK-f92d7c0c-4
0.258
EDG-MED-0da5ad92-2
0.258
JAN-GHE-5a013bed-8
0.258
PET-UNK-f92d7c0c-5
0.258
MIC-UNK-4c7b8ba7-1
0.258
SAD-SAT-7d5528d9-24
0.258
MAT-POS-bb423b95-9
0.258
VLA-UCB-05e51b3f-3
0.257
BAR-COM-ebf5acce-11
0.257
MIC-UNK-fc94cdb5-1
0.256
MAT-POS-0bc33984-1
0.255
ALP-POS-0c2c77e1-1
0.255
MAT-POS-bb423b95-3
0.255
BAR-COM-ebf5acce-1
0.255
EDG-MED-0da5ad92-21
0.253
EDG-MED-0da5ad92-16
0.253
SAD-SAT-c989feaa-5
0.253
EDJ-MED-6e43a462-6
0.253
JIN-POS-6dc588a4-16
0.253
JIN-POS-6dc588a4-14
0.253
EDJ-MED-239d8ca5-1
0.252
JOH-UNI-a38a7bdd-7
0.252
RIT-AID-a492ba81-1
0.252
DAN-LON-a5fc619e-3
0.250
JAN-GHE-5a013bed-9
0.250
MAT-POS-90fd5f68-8
0.250
PET-UNK-f92d7c0c-1
0.250