Molecular Properties | |
SMILES: | CNC(=O)[C@H](CO)N1Cc2ccccc2[C@H](C(=O)Nc2cncc3ccc(C(C)(C)O)cc23)C1 |
MW: | 462.23 |
Fraction sp3: | 0.35 |
HBA: | 6 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 114.79 |
cLogP: | 2.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-DND-fa51d92c-3
0.812
BEN-DND-fa51d92c-18
0.760
BEN-DND-fa51d92c-9
0.752
BEN-DND-fa51d92c-11
0.752
BEN-DND-fa51d92c-23
0.724
BEN-DND-fa51d92c-14
0.660
BEN-DND-fa51d92c-13
0.648
BEN-DND-f6031113-12
0.627
BEN-DND-fa51d92c-1
0.611
BEN-DND-fa51d92c-15
0.596
BEN-DND-f6031113-1
0.568
BEN-DND-fa51d92c-17
0.562
BEN-DND-fa51d92c-10
0.558
EDJ-MED-c82a5324-1
0.554
DAR-DIA-d8bd013f-2
0.554
DAR-DIA-d8bd013f-4
0.554
BEN-DND-f6031113-18
0.548
BEN-DND-f6031113-9
0.543
BEN-DND-fa51d92c-21
0.541
BEN-DND-fa51d92c-4
0.538
BEN-DND-fa51d92c-22
0.536
BEN-DND-fa51d92c-5
0.529
MAT-POS-97ec4bd1-3
0.526
MAT-POS-c88128cb-1
0.496
BEN-DND-fa51d92c-20
0.496
BEN-DND-fa51d92c-7
0.492
BEN-DND-fa51d92c-19
0.487
BEN-DND-fa51d92c-6
0.483
BEN-DND-fa51d92c-2
0.479
MAT-POS-97ec4bd1-4
0.479
DAR-DIA-d8bd013f-13
0.469
DAR-DIA-d8bd013f-14
0.469
DAR-DIA-d8bd013f-10
0.468
DAR-DIA-d8bd013f-9
0.468
MAT-POS-97ec4bd1-2
0.460
MAT-POS-c88128cb-2
0.460
MAT-POS-5c19d660-2
0.460
BEN-DND-f6031113-11
0.459
MAT-POS-97ec4bd1-1
0.457
MAT-POS-666635d5-2
0.453
MAT-POS-83f73d0a-1
0.453
EDJ-MED-54fbebd8-2
0.447
EDJ-MED-54fbebd8-1
0.443
BEN-DND-fa51d92c-16
0.442
BEN-DND-d1eb1f41-10
0.440
MAT-POS-86c60949-2
0.440
BEN-DND-fa51d92c-8
0.438
DAR-DIA-d8bd013f-11
0.435
DAR-DIA-d8bd013f-12
0.435
BEN-DND-f6031113-23
0.429
BEN-DND-fa51d92c-24
0.427
EDJ-MED-54fbebd8-3
0.427
BEN-DND-c852c98b-3
0.426
EDJ-MED-28cccd0c-2
0.425
BEN-DND-f6031113-2
0.415
DAR-DIA-d8bd013f-8
0.415
DAR-DIA-d8bd013f-7
0.415
EDJ-MED-54fbebd8-5
0.413
EDJ-MED-54fbebd8-4
0.412
DAR-DIA-d8bd013f-6
0.411
DAR-DIA-d8bd013f-5
0.411
DAR-DIA-d8bd013f-1
0.410
DAR-DIA-d8bd013f-3
0.410
MAT-POS-5cd9ea36-14
0.410
EDJ-MED-139368ae-5
0.408
BEN-DND-f6031113-14
0.400
EDJ-MED-139368ae-2
0.398
BEN-DND-f6031113-17
0.394
EDJ-MED-139368ae-3
0.393
BEN-DND-f6031113-10
0.391
EDJ-MED-28cccd0c-3
0.389
MAT-POS-2e8b2191-10
0.388
BEN-DND-f6031113-13
0.388
EDJ-MED-28cccd0c-4
0.387
EDJ-MED-139368ae-4
0.385
EDJ-MED-139368ae-1
0.382
EDJ-MED-12c4873b-3
0.377
EDJ-MED-c4e42105-3
0.377
EDJ-MED-28cccd0c-1
0.375
EDJ-MED-670ad2ee-9
0.374
EDJ-MED-670ad2ee-10
0.374
EDJ-MED-841e0cf0-7
0.374
CLI-TLC-3a13eaf2-1
0.371
MAT-POS-dd3ad2b5-5
0.369
FRA-DIA-6238d354-2
0.369
BEN-DND-a02b439d-11
0.369
MAT-POS-4223bc15-27
0.366
MAT-POS-4223bc15-23
0.366
MAT-POS-8293a91a-4
0.366
MAT-POS-8293a91a-5
0.366
BEN-DND-f6031113-4
0.364
BEN-DND-f6031113-21
0.363
PET-UNK-162c14b2-2
0.363
EDJ-MED-009f762b-5
0.362
MAT-POS-dd3ad2b5-1
0.361
BEN-DND-f2e727cd-6
0.361
PET-UNK-03fd2068-3
0.361
EDJ-MED-670ad2ee-7
0.360
EDJ-MED-670ad2ee-8
0.360
EDJ-MED-841e0cf0-6
0.360