Molecular Properties | |
SMILES: | CNC(=O)c1ccc2cncc(NC(=O)[C@@H]3CN([C@@H](C(=O)NC)C(C)C)C(=O)c4ccccc43)c2c1 |
MW: | 487.22 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 120.5 |
cLogP: | 2.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-DND-f6031113-10
0.883
BEN-DND-f6031113-11
0.752
BEN-DND-f6031113-18
0.752
BEN-DND-f6031113-21
0.732
BEN-DND-f6031113-2
0.710
BEN-DND-f6031113-20
0.667
BEN-DND-f6031113-9
0.664
BEN-DND-f6031113-19
0.654
BEN-DND-f6031113-22
0.641
BEN-DND-fa51d92c-17
0.611
BEN-DND-f6031113-16
0.602
BEN-DND-fa51d92c-10
0.591
BEN-DND-f6031113-7
0.586
BEN-DND-f6031113-6
0.575
JOH-UNI-6b98e24c-2
0.564
BEN-DND-f6031113-12
0.561
BEN-DND-fa51d92c-11
0.544
BEN-DND-f6031113-23
0.536
BEN-DND-f6031113-1
0.533
BEN-DND-f6031113-8
0.526
BEN-DND-fa51d92c-1
0.521
BEN-DND-f6031113-14
0.500
BEN-DND-f6031113-13
0.483
BEN-DND-f6031113-4
0.479
BEN-DND-f6031113-5
0.468
BEN-DND-f6031113-24
0.452
BEN-DND-fa51d92c-18
0.446
EDG-MED-9fc99cca-1
0.443
EDG-MED-9fc99cca-2
0.439
BEN-DND-f6031113-15
0.438
MAT-POS-78ab8081-4
0.434
EDJ-MED-378a25ea-2
0.434
BEN-DND-fa51d92c-9
0.431
BEN-DND-fa51d92c-21
0.427
MAT-POS-78ab8081-3
0.420
MAT-POS-5c19d660-3
0.420
BEN-DND-f6031113-3
0.417
EDG-MED-9fc99cca-3
0.413
BEN-DND-fa51d92c-22
0.412
EDG-MED-9fc99cca-4
0.408
DAR-DIA-d8bd013f-8
0.395
DAR-DIA-d8bd013f-7
0.395
BEN-DND-fa51d92c-12
0.394
BEN-DND-fa51d92c-20
0.392
MAT-POS-90fd5f68-20
0.391
BEN-DND-fa51d92c-19
0.386
PET-UNK-fe31e24a-6
0.383
DAR-DIA-d8bd013f-5
0.381
DAR-DIA-d8bd013f-6
0.381
MAT-POS-c7726e07-3
0.379
MAT-POS-c7726e07-4
0.379
MAT-POS-e119ab4f-2
0.379
BEN-DND-fa51d92c-3
0.379
BEN-DND-fa51d92c-7
0.378
BEN-DND-fa51d92c-6
0.372
EDJ-MED-ce467fd5-1
0.370
EDJ-MED-827e7cb4-3
0.370
PET-UNK-fe31e24a-5
0.369
EDJ-MED-c4e42105-4
0.368
EDJ-MED-827e7cb4-2
0.368
MAT-POS-97ec4bd1-4
0.367
MAT-POS-2e8b2191-11
0.366
MAT-POS-a54ce14d-3
0.366
MAT-POS-acfe5bae-2
0.366
EDJ-MED-015fb6b4-2
0.366
MAT-POS-a54ce14d-2
0.366
BEN-DND-fa51d92c-23
0.366
LUO-POS-8701f4c8-1
0.365
EDJ-MED-12c4873b-2
0.365
EDJ-MED-43f8f7d6-2
0.365
EDJ-MED-c4e42105-3
0.359
EDJ-MED-eb111c00-1
0.356
MIC-UNK-91acba05-2
0.356
EDJ-MED-54fbebd8-2
0.355
EDJ-MED-43f8f7d6-1
0.355
MAT-POS-acfe5bae-3
0.355
LUO-POS-3f66b338-1
0.355
EDJ-MED-12c4873b-4
0.355
EDJ-MED-ce467fd5-2
0.354
JOH-UNI-6b98e24c-1
0.352
PET-UNK-e9bc7c59-4
0.352
EDJ-MED-43f8f7d6-3
0.352
RAL-THA-a9c31980-3
0.352
MAT-POS-37ffad05-1
0.351
EDJ-MED-378a25ea-19
0.350
BEN-DND-fa51d92c-24
0.350
EDJ-MED-015fb6b4-3
0.349
MAT-POS-2e8b2191-10
0.348
PET-UNK-9b23ef84-2
0.347
MAT-POS-dd3ad2b5-2
0.347
DAR-DIA-d8bd013f-3
0.346
MAT-POS-5cd9ea36-14
0.346
DAR-DIA-d8bd013f-1
0.346
JOH-UNI-d2a12aa9-4
0.346
MIC-UNK-482af05e-3
0.344
BEN-DND-fa51d92c-16
0.344
EDJ-MED-ce467fd5-4
0.344
MAT-POS-97ec4bd1-3
0.344
EDJ-MED-378a25ea-32
0.343
PET-UNK-9b23ef84-3
0.341