Molecule Details
| Molecular Properties | |
| SMILES: | O=C1Nc2cc3ccc2C12CCC32Cc1cccc(Cl)c1 |
| MW: | 295.08 |
| Fraction sp3: | 0.28 |
| HBA: | 1 |
| HBD: | 1 |
| Rotatable Bonds: | 2 |
| TPSA: | 29.1 |
| cLogP: | 3.82 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
SAD-SAT-7d5528d9-40
0.451
SAD-SAT-7d5528d9-10
0.372
SAD-SAT-7d5528d9-56
0.368
SAD-SAT-7d5528d9-49
0.333
SAD-SAT-7d5528d9-52
0.333
SAD-SAT-7d5528d9-47
0.330
SAD-SAT-7d5528d9-23
0.315
RUB-POS-1325a9ea-1
0.311
MAT-POS-f7918075-7
0.311
MAT-POS-0bc33984-1
0.310
SAD-SAT-7d5528d9-20
0.310
SAD-SAT-7d5528d9-36
0.309
MAT-POS-0bc33984-2
0.301
SAD-SAT-7d5528d9-5
0.301
SAD-SAT-7d5528d9-50
0.298
SAD-SAT-7d5528d9-53
0.298
MIC-UNK-8373f97b-2
0.297
MIC-UNK-42806bd5-2
0.296
ALP-POS-8b8a49e1-5
0.296
MIC-UNK-fc94cdb5-1
0.296
ALP-POS-90e38439-3
0.296
SAD-SAT-7d5528d9-46
0.292
SAD-SAT-7d5528d9-38
0.290
ROB-UNI-daaf9793-2
0.289
NAU-LAT-a5c7d7cb-14
0.289
SAD-SAT-7d5528d9-17
0.286
MIC-UNK-8373f97b-5
0.284
JAN-GHE-5a013bed-11
0.284
MAT-POS-500ca5bf-2
0.284
MIC-UNK-42806bd5-1
0.284
ALP-POS-90e38439-2
0.284
MIC-UNK-4c7b8ba7-1
0.282
RUB-POS-1325a9ea-23
0.281
ALP-POS-90e38439-1
0.281
NAU-LAT-a5c7d7cb-13
0.281
VLA-UCB-1dbca3b4-1
0.281
MIC-UNK-8373f97b-4
0.281
MAT-POS-6da3605a-2
0.280
JAG-UCB-cedd89ab-2
0.280
JOH-UNI-0e1753c1-2
0.278
SAD-SAT-7d5528d9-42
0.278
SAM-UNK-2684b532-13
0.277
ALP-POS-95b75b4d-8
0.277
JAN-GHE-5a013bed-4
0.277
SAD-SAT-7d5528d9-54
0.277
ALP-POS-91609ae9-1
0.276
SAD-SAT-7d5528d9-4
0.276
JAN-GHE-5a013bed-9
0.275
JAN-GHE-5a013bed-6
0.275
ALP-POS-8b8a49e1-7
0.272
SAD-SAT-7d5528d9-12
0.271
RUB-POS-1325a9ea-24
0.270
SAD-SAT-7d5528d9-11
0.269
RUB-POS-1325a9ea-4
0.269
MIC-UNK-66895286-1
0.268
ALP-POS-8b8a49e1-8
0.267
VLA-UNK-411a133b-2
0.265
RUB-POS-1325a9ea-22
0.264
JOH-UNI-abfda500-4
0.264
ROB-UNI-daaf9793-3
0.264
JOH-UNI-0e1753c1-3
0.263
MED-COV-4280ac29-15
0.263
AAR-POS-d2a4d1df-35
0.263
HYO-UNK-49a60884-1
0.263
JAG-UCB-a3ef7265-15
0.262
EDG-MED-0da5ad92-21
0.262
VLA-UNK-411a133b-1
0.262
PET-UNK-158bee2a-3
0.262
MAT-POS-199e2e7c-1
0.261
EDJ-MED-c8e7a002-10
0.261
JIN-POS-6dc588a4-14
0.261
MIC-UNK-d935700b-2
0.261
MAT-POS-14ad9fe9-1
0.260
JIN-POS-6dc588a4-20
0.260
PET-UNK-158bee2a-2
0.259
EDG-MED-0da5ad92-14
0.259
ALP-POS-95b75b4d-6
0.259
PET-UNK-f92d7c0c-1
0.259
EDG-MED-0da5ad92-12
0.259
PET-UNK-f92d7c0c-6
0.259
MIC-UNK-d935700b-1
0.258
EDJ-MED-a364e151-1
0.258
SAD-SAT-7d5528d9-15
0.258
MAT-POS-f7918075-8
0.258
RUB-POS-1325a9ea-7
0.258
JAN-GHE-5a013bed-7
0.256
MAK-UNK-6ca90168-13
0.256
NAU-LAT-e1818702-10
0.256
JOH-UNI-23d9e1b1-1
0.256
EDG-MED-0da5ad92-15
0.256
PET-UNK-f92d7c0c-3
0.256
JAN-GHE-5a013bed-5
0.253
JAN-GHE-5a013bed-8
0.253
PET-UNK-f92d7c0c-5
0.253
PET-UNK-f92d7c0c-4
0.253
EDG-MED-0da5ad92-2
0.253
PET-UNK-158bee2a-4
0.253
ABI-SAT-4d06482b-2
0.253
SAD-SAT-7d5528d9-48
0.253
ALP-POS-91609ae9-2
0.253