Molecular Properties | |
SMILES: | CNC(=O)[C@@H](C(C)O)N1Cc2ccccc2[C@H](C(=O)Nc2cncc3cc(F)ccc23)C1 |
MW: | 436.19 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 94.56 |
cLogP: | 2.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-DND-fa51d92c-20
0.860
BEN-DND-fa51d92c-6
0.760
BEN-DND-fa51d92c-22
0.758
BEN-DND-fa51d92c-14
0.740
BEN-DND-fa51d92c-4
0.712
BEN-DND-fa51d92c-10
0.673
BEN-DND-fa51d92c-9
0.667
BEN-DND-fa51d92c-19
0.651
BEN-DND-fa51d92c-21
0.644
BEN-DND-f6031113-7
0.620
BEN-DND-fa51d92c-8
0.607
BEN-DND-f6031113-20
0.582
BEN-DND-fa51d92c-17
0.573
DAR-DIA-d8bd013f-5
0.573
DAR-DIA-d8bd013f-6
0.573
BEN-DND-fa51d92c-18
0.568
BEN-DND-fa51d92c-13
0.558
BEN-DND-fa51d92c-23
0.546
BEN-DND-fa51d92c-5
0.538
BEN-DND-f6031113-14
0.531
BEN-DND-f6031113-4
0.521
BEN-DND-fa51d92c-16
0.513
BEN-DND-fa51d92c-11
0.496
BEN-DND-f06bfa8e-2
0.496
EDJ-MED-0186a59b-1
0.496
EDJ-MED-7889e8da-1
0.496
ALP-POS-6f6ae286-5
0.496
BEN-DND-fa51d92c-12
0.492
BEN-DND-fa51d92c-1
0.488
BEN-DND-fa51d92c-3
0.484
DAR-DIA-d8bd013f-8
0.483
DAR-DIA-d8bd013f-7
0.483
PET-UNK-03fd2068-4
0.482
EDJ-MED-54fbebd8-2
0.468
EDJ-MED-54fbebd8-1
0.464
EDJ-MED-ede277f6-4
0.463
BEN-DND-f6031113-6
0.463
PET-UNK-03fd2068-6
0.461
BEN-DND-fa51d92c-24
0.460
PET-UNK-ff046148-4
0.450
BEN-DND-f6031113-22
0.448
PET-UNK-ff046148-3
0.447
MAT-POS-e119ab4f-1
0.445
EDJ-MED-0186a59b-5
0.445
MAT-POS-c7726e07-2
0.445
MAT-POS-c7726e07-1
0.445
EDJ-MED-54fbebd8-4
0.443
EDJ-MED-ede277f6-7
0.443
EDJ-MED-28cccd0c-1
0.438
PET-UNK-c671f938-1
0.436
PET-UNK-c671f938-5
0.436
PET-UNK-ff046148-2
0.434
BEN-DND-fa51d92c-15
0.433
EDJ-MED-54fbebd8-5
0.432
EDJ-MED-28cccd0c-2
0.432
ALP-POS-6f6ae286-6
0.431
BEN-DND-f06bfa8e-3
0.431
BEN-DND-f6031113-19
0.431
EDJ-MED-e69ed63d-1
0.431
EDJ-MED-28cccd0c-4
0.429
DAR-DIA-d8bd013f-1
0.429
MAT-POS-5cd9ea36-14
0.429
DAR-DIA-d8bd013f-3
0.429
BEN-DND-fa51d92c-2
0.427
EDJ-MED-139368ae-5
0.427
EDJ-MED-ede277f6-1
0.425
EDJ-MED-ede277f6-10
0.425
EDJ-MED-7889e8da-2
0.424
EDJ-MED-be9e6f63-2
0.424
EDJ-MED-e69ed63d-7
0.423
EDJ-MED-54fbebd8-3
0.422
EDJ-MED-139368ae-2
0.417
PET-UNK-1e13ef09-1
0.417
BEN-DND-f6031113-21
0.415
ALP-POS-6f6ae286-4
0.414
EDJ-MED-e69ed63d-13
0.413
BEN-DND-f06bfa8e-1
0.412
EDJ-MED-139368ae-3
0.412
EDJ-MED-139368ae-1
0.412
EDJ-MED-e69ed63d-11
0.411
EDJ-MED-c82a5324-1
0.410
DAR-DIA-d8bd013f-4
0.410
DAR-DIA-d8bd013f-2
0.410
BEN-DND-f06bfa8e-4
0.409
BEN-DND-f6031113-10
0.408
PET-UNK-b78139fa-5
0.407
EDJ-MED-28cccd0c-3
0.407
BEN-DND-f6031113-13
0.405
BEN-DND-f6031113-9
0.405
PET-UNK-03fd2068-1
0.404
EDJ-MED-139368ae-4
0.403
BEN-DND-f6031113-5
0.403
EDJ-MED-e69ed63d-15
0.402
EDJ-MED-e69ed63d-17
0.402
EDJ-MED-e69ed63d-3
0.397
PET-UNK-2c6614b6-5
0.397
PET-UNK-7279c968-5
0.397
MAT-POS-86c60949-1
0.397
PET-UNK-03fd2068-2
0.397
EDJ-MED-b7309adf-1
0.397