Molecular Properties | |
SMILES: | CNC(=O)c1ccc2cncc(NC(=O)[C@@H]3CN([C@H](CO)C(=O)NC)C(=O)c4ccccc43)c2c1 |
MW: | 475.19 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 140.73 |
cLogP: | 0.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-DND-f6031113-2
0.822
BEN-DND-f6031113-12
0.755
BEN-DND-f6031113-17
0.752
BEN-DND-f6031113-10
0.745
BEN-DND-f6031113-23
0.735
BEN-DND-f6031113-14
0.683
BEN-DND-f6031113-13
0.657
BEN-DND-fa51d92c-11
0.624
BEN-DND-f6031113-1
0.623
BEN-DND-f6031113-15
0.606
BEN-DND-fa51d92c-1
0.569
BEN-DND-f6031113-4
0.565
BEN-DND-f6031113-18
0.561
BEN-DND-f6031113-9
0.557
BEN-DND-f6031113-5
0.551
BEN-DND-f6031113-21
0.536
BEN-DND-fa51d92c-17
0.535
BEN-DND-f6031113-22
0.532
BEN-DND-fa51d92c-10
0.530
BEN-DND-f6031113-20
0.517
BEN-DND-f6031113-7
0.513
BEN-DND-f6031113-3
0.496
BEN-DND-f6031113-19
0.483
BEN-DND-f6031113-6
0.479
BEN-DND-fa51d92c-12
0.459
EDG-MED-9fc99cca-2
0.459
MAT-POS-78ab8081-4
0.453
EDJ-MED-378a25ea-2
0.453
EDG-MED-9fc99cca-1
0.451
MAT-POS-78ab8081-3
0.438
MAT-POS-5c19d660-3
0.438
BEN-DND-f6031113-16
0.438
BEN-DND-f6031113-24
0.436
BEN-DND-f6031113-8
0.434
BEN-DND-fa51d92c-23
0.432
BEN-DND-fa51d92c-14
0.419
BEN-DND-fa51d92c-3
0.419
EDG-MED-9fc99cca-3
0.410
JOH-UNI-6b98e24c-2
0.407
EDJ-MED-c82a5324-1
0.403
DAR-DIA-d8bd013f-2
0.403
DAR-DIA-d8bd013f-4
0.403
EDG-MED-9fc99cca-4
0.394
BEN-DND-fa51d92c-13
0.391
MAT-POS-90fd5f68-20
0.387
MAT-POS-c7726e07-3
0.387
MAT-POS-c7726e07-4
0.387
MAT-POS-e119ab4f-2
0.387
BEN-DND-fa51d92c-18
0.386
BEN-DND-fa51d92c-4
0.385
BEN-DND-fa51d92c-9
0.383
PET-UNK-fe31e24a-6
0.380
EDJ-MED-ce467fd5-1
0.378
EDJ-MED-827e7cb4-3
0.378
MAT-POS-97ec4bd1-4
0.375
MAT-POS-2e8b2191-11
0.374
MAT-POS-a54ce14d-3
0.374
MAT-POS-acfe5bae-2
0.374
EDJ-MED-015fb6b4-2
0.374
MAT-POS-a54ce14d-2
0.374
DAR-DIA-d8bd013f-9
0.368
DAR-DIA-d8bd013f-10
0.368
EDJ-MED-378a25ea-19
0.367
MAT-POS-2e8b2191-10
0.366
PET-UNK-fe31e24a-5
0.366
BEN-DND-fa51d92c-21
0.366
EDJ-MED-827e7cb4-2
0.365
BEN-DND-fa51d92c-22
0.363
MAT-POS-97ec4bd1-3
0.362
PET-UNK-4d432d33-2
0.361
PET-UNK-4d432d33-6
0.361
EDJ-MED-378a25ea-32
0.359
BEN-DND-fa51d92c-5
0.358
MAT-POS-37ffad05-1
0.358
BEN-DND-fa51d92c-20
0.357
EDJ-MED-c4e42105-3
0.356
EDJ-MED-c4e42105-4
0.356
PET-UNK-9b23ef84-2
0.355
MAT-POS-dd3ad2b5-2
0.355
MAT-POS-4223bc15-23
0.355
MAT-POS-8293a91a-5
0.355
MAT-POS-8293a91a-4
0.355
DAR-DIA-d8bd013f-13
0.355
DAR-DIA-d8bd013f-14
0.355
DAR-DIA-d8bd013f-3
0.354
EDJ-MED-eb111c00-2
0.354
MAT-POS-5cd9ea36-14
0.354
DAR-DIA-d8bd013f-1
0.354
BEN-DND-fa51d92c-7
0.354
EDJ-MED-eb111c00-1
0.353
MIC-UNK-91acba05-2
0.353
JOH-UNI-d2a12aa9-4
0.353
DAR-DIA-d8bd013f-11
0.353
DAR-DIA-d8bd013f-12
0.353
PET-UNK-f860268d-5
0.352
EDJ-MED-54fbebd8-2
0.352
PET-UNK-f860268d-2
0.352
PET-UNK-162c14b2-2
0.352
MIC-UNK-482af05e-3
0.352
EDJ-MED-43f8f7d6-1
0.352