Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)[C@@H]1CCOc2c(CC3CC4(CC4)N3)cc(Cl)cc21 |
MW: | 397.16 |
Fraction sp3: | 0.45 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 63.25 |
cLogP: | 3.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-23e5a6a0-17
0.941
DAR-DIA-23e5a6a0-18
0.907
DAR-DIA-23e5a6a0-16
0.796
DAR-DIA-23e5a6a0-19
0.768
DAR-DIA-23e5a6a0-10
0.653
DAR-DIA-23e5a6a0-15
0.624
DAR-DIA-23e5a6a0-7
0.619
DAR-DIA-23e5a6a0-12
0.596
DAR-DIA-23e5a6a0-8
0.594
DAR-DIA-23e5a6a0-13
0.587
DAR-DIA-23e5a6a0-11
0.575
DAR-DIA-23e5a6a0-14
0.541
DAR-DIA-23e5a6a0-6
0.522
JAN-GHE-f4ca5a00-13
0.505
MAT-POS-b3e365b9-3
0.505
MAT-POS-b3e365b9-4
0.505
BRU-CON-c4e3408a-1
0.505
DAR-DIA-6a508060-6
0.505
DAR-DIA-23e5a6a0-9
0.504
DAR-DIA-6a508060-5
0.500
DAR-DIA-23e5a6a0-29
0.500
DAR-DIA-23e5a6a0-23
0.462
JAG-UCB-c61058a9-39
0.459
DAR-DIA-23e5a6a0-25
0.448
ADA-UCB-6c2cb422-2
0.434
LAU-MED-88a3970a-11
0.430
LAU-MED-88a3970a-12
0.430
LAU-MED-88a3970a-17
0.421
LAU-MED-88a3970a-18
0.421
LAU-MED-88a3970a-9
0.421
LAU-MED-88a3970a-10
0.421
LAU-MED-88a3970a-5
0.420
LAU-MED-88a3970a-6
0.420
LAU-MED-88a3970a-14
0.417
LAU-MED-88a3970a-13
0.417
RAL-THA-05e671eb-18
0.413
LAU-MED-88a3970a-7
0.412
LAU-MED-88a3970a-8
0.412
DAR-DIA-23e5a6a0-30
0.411
LAU-MED-88a3970a-15
0.409
LAU-MED-88a3970a-16
0.409
DAR-DIA-23e5a6a0-5
0.408
DAR-DIA-23e5a6a0-21
0.405
MAT-POS-590ac91e-21
0.394
ALP-POS-ce760d3f-1
0.391
DAR-DIA-23e5a6a0-24
0.391
DAR-DIA-23e5a6a0-2
0.390
DAR-DIA-0587064e-12
0.388
MAT-POS-5369c344-4
0.388
DAR-DIA-23e5a6a0-27
0.387
DAR-DIA-23e5a6a0-26
0.387
DAR-DIA-23e5a6a0-3
0.385
MAK-UNK-919546f0-1
0.383
MAK-UNK-f481d203-2
0.383
MAK-UNK-f481d203-1
0.383
DAR-DIA-0587064e-17
0.381
DAR-DIA-23e5a6a0-22
0.381
MIC-UNK-ea979c74-3
0.377
TRY-UNI-2eddb1ff-7
0.376
WIL-MOD-03b86a88-1
0.376
DAR-DIA-23e5a6a0-1
0.376
MAT-POS-5369c344-5
0.374
DAR-DIA-0587064e-22
0.374
DAR-DIA-0587064e-15
0.373
LAU-MED-88a3970a-1
0.373
MAT-POS-5369c344-1
0.373
LAU-MED-88a3970a-2
0.373
WIL-MOD-03b86a88-4
0.370
LON-WEI-0a73fcb8-7
0.370
RAL-THA-05e671eb-16
0.369
ALP-UNI-3735e77e-2
0.369
MAT-POS-43fe65f4-1
0.368
EDJ-MED-e4b030d8-7
0.368
DAR-DIA-6a508060-4
0.368
RAL-THA-05e671eb-19
0.368
KAD-UNI-877d7bed-12
0.367
LAU-MED-88a3970a-3
0.367
LAU-MED-88a3970a-4
0.367
VLA-UCB-05e51b3f-11
0.364
VLA-UCB-50c39ae8-8
0.364
NAU-LAT-0543f7f2-10
0.363
MAT-POS-5369c344-7
0.363
RAL-THA-05e671eb-17
0.363
DAR-DIA-0587064e-24
0.362
DAR-DIA-23e5a6a0-28
0.362
ERI-UCB-5b47150d-6
0.362
DAR-DIA-0587064e-20
0.360
KAD-UNI-877d7bed-15
0.359
MAT-POS-590ac91e-22
0.358
EDJ-MED-e9694d2b-1
0.358
ERI-UCB-9c7ec71b-2
0.358
MAT-POS-5369c344-2
0.358
DAR-DIA-0587064e-10
0.358
MAT-POS-5369c344-6
0.357
EDJ-MED-e4b030d8-5
0.357
MAT-POS-e501d84c-1
0.355
BAR-COM-0f94fc3d-28
0.355
MAT-POS-590ac91e-24
0.354
ALP-POS-fe871b40-1
0.353
RAL-THA-05e671eb-20
0.353