Molecular Properties | |
SMILES: | O=C(CCl)N1C2CC([C@@H]1Cc1ccc(O)cc1)N(Cc1cccc(Cl)c1)C2 |
MW: | 404.11 |
Fraction sp3: | 0.38 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 43.78 |
cLogP: | 3.68 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MAK-UNK-ec98eaf6-46
0.806
MED-COV-4280ac29-2
0.483
DAN-LON-a5fc619e-8
0.457
DAN-LON-a5fc619e-1
0.412
DAN-LON-a5fc619e-3
0.396
JOH-UNI-0e1753c1-5
0.396
MAK-UNK-ec98eaf6-44
0.393
DAN-LON-a5fc619e-6
0.391
SAD-SAT-c989feaa-3
0.389
DAN-LON-a5fc619e-7
0.387
SAD-SAT-c989feaa-5
0.385
DAN-LON-a5fc619e-9
0.376
DAN-LON-a5fc619e-10
0.374
MAK-UNK-ec98eaf6-45
0.372
HYO-UNK-49a60884-1
0.354
MED-COV-4280ac29-15
0.354
JOH-UNI-0e1753c1-3
0.354
AAR-POS-d2a4d1df-35
0.354
MED-COV-4280ac29-13
0.352
SAD-SAT-c989feaa-6
0.351
JOH-UNI-0e1753c1-4
0.347
DAN-LON-a5fc619e-4
0.337
SAD-SAT-c989feaa-7
0.337
DAN-LON-a5fc619e-2
0.333
AVI-UNI-70b60925-1
0.333
DAN-LON-a5fc619e-5
0.323
MAK-UNK-3f402c2b-3
0.322
JOH-IMS-1436231f-2
0.322
SEA-TRI-8252c13b-1
0.320
JOH-UNI-23d9e1b1-1
0.314
AVI-UNI-c9bf710f-1
0.314
MAK-UNK-df1a028e-6
0.311
JOH-UNI-0e1753c1-2
0.306
NAM-UNK-f7c77a48-4
0.303
JOH-UNI-0e1753c1-1
0.300
MAK-UNK-6ca90168-13
0.299
MAK-UNK-10799360-3
0.297
ASH-SAT-43770c7d-3
0.297
MAK-UNK-df1a028e-8
0.295
SAD-SAT-c989feaa-9
0.288
NAM-UNK-f7c77a48-3
0.287
MED-COV-4280ac29-6
0.287
MAK-UNK-10799360-36
0.287
MAK-UNK-ec98eaf6-18
0.286
MAT-POS-7174c657-2
0.286
SEA-TRI-146a67b6-1
0.284
JAN-GHE-f4ca5a00-16
0.284
AHN-SAT-721e3e40-1
0.283
NIC-BIO-a68395b7-4
0.281
AAR-POS-0daf6b7e-29
0.280
JOH-IMS-1436231f-6
0.280
SAD-SAT-c989feaa-8
0.280
MAK-UNK-ec98eaf6-6
0.280
DAV-CRI-25b90884-1
0.278
DAR-DIA-3e9bbd81-1
0.277
SAD-SAT-c989feaa-1
0.277
MAK-UNK-ec98eaf6-49
0.276
MAK-UNK-ec98eaf6-14
0.276
MAK-UNK-ec98eaf6-13
0.274
SAD-SAT-7d5528d9-35
0.274
SEA-TRI-9e600f3c-1
0.272
MAK-UNK-ec98eaf6-50
0.271
MAK-UNK-ec98eaf6-4
0.271
SAD-SAT-7d5528d9-21
0.269
DAV-CRI-1c77f7a9-4
0.268
DAR-DIA-3e9bbd81-3
0.267
STU-CHA-0be58c98-1
0.267
MAK-UNK-10799360-26
0.267
SAD-SAT-7d5528d9-6
0.267
MAK-UNK-10799360-14
0.267
SAD-SAT-c989feaa-2
0.267
MAK-UNK-af83ef51-8
0.266
GIA-UNK-c4371e97-3
0.265
RUB-POS-1325a9ea-23
0.265
VLA-UCB-1dbca3b4-1
0.265
ALP-POS-90e38439-1
0.265
NAU-LAT-a5c7d7cb-13
0.265
SAD-SAT-7d5528d9-7
0.264
MIC-UNK-42806bd5-2
0.264
SAD-SAT-b55127ae-1
0.264
ALP-POS-90e38439-3
0.264
ALP-POS-8b8a49e1-5
0.264
MAK-UNK-10799360-19
0.264
SAD-SAT-581007d4-9
0.263
MED-COV-4280ac29-18
0.263
DAV-CRI-25b90884-3
0.263
SAD-SAT-581007d4-10
0.263
MAK-UNK-3f402c2b-22
0.261
MAR-TRE-e86a56b5-57
0.261
MAK-UNK-df1a028e-1
0.260
MAT-POS-7174c657-3
0.260
MAK-UNK-ec98eaf6-1
0.260
SAD-SAT-581007d4-7
0.258
MAT-POS-2db6411e-2
0.258
PET-UNK-f92d7c0c-1
0.258
PET-UNK-f92d7c0c-6
0.258
MIC-UNK-13557a72-1
0.258
JAN-GHE-5a013bed-2
0.258
MED-COV-4280ac29-7
0.258
PET-UNK-8df914d1-5
0.258