Molecular Properties | |
SMILES: | CNC(=O)[C@H](C(C)C)N1Cc2ccccc2[C@H](C(=O)Nc2cncc3cc(F)ccc23)C1 |
MW: | 434.21 |
Fraction sp3: | 0.32 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 74.33 |
cLogP: | 3.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-DND-fa51d92c-7
0.860
BEN-DND-fa51d92c-19
0.758
BEN-DND-fa51d92c-21
0.755
BEN-DND-fa51d92c-14
0.747
BEN-DND-fa51d92c-4
0.718
BEN-DND-fa51d92c-17
0.670
BEN-DND-fa51d92c-18
0.663
BEN-DND-fa51d92c-6
0.651
BEN-DND-fa51d92c-22
0.644
BEN-DND-fa51d92c-16
0.604
BEN-DND-f6031113-20
0.602
BEN-DND-fa51d92c-10
0.573
DAR-DIA-d8bd013f-8
0.569
DAR-DIA-d8bd013f-7
0.569
BEN-DND-fa51d92c-9
0.568
BEN-DND-f6031113-7
0.568
BEN-DND-fa51d92c-13
0.562
BEN-DND-fa51d92c-23
0.551
BEN-DND-fa51d92c-5
0.543
BEN-DND-f6031113-14
0.536
BEN-DND-f6031113-4
0.526
BEN-DND-fa51d92c-8
0.513
BEN-DND-f06bfa8e-2
0.500
EDJ-MED-0186a59b-1
0.500
EDJ-MED-7889e8da-1
0.500
BEN-DND-fa51d92c-11
0.500
ALP-POS-6f6ae286-5
0.500
BEN-DND-fa51d92c-12
0.496
BEN-DND-fa51d92c-1
0.492
BEN-DND-fa51d92c-3
0.488
PET-UNK-03fd2068-4
0.486
DAR-DIA-d8bd013f-5
0.483
DAR-DIA-d8bd013f-6
0.483
EDJ-MED-54fbebd8-2
0.473
EDJ-MED-54fbebd8-1
0.468
PET-UNK-03fd2068-6
0.465
EDJ-MED-ede277f6-4
0.455
PET-UNK-ff046148-4
0.454
PET-UNK-c671f938-1
0.452
PET-UNK-c671f938-5
0.452
BEN-DND-fa51d92c-24
0.451
PET-UNK-ff046148-3
0.451
MAT-POS-e119ab4f-1
0.449
EDJ-MED-0186a59b-5
0.449
MAT-POS-c7726e07-2
0.449
MAT-POS-c7726e07-1
0.449
EDJ-MED-ede277f6-7
0.446
BEN-DND-f6031113-19
0.446
EDJ-MED-28cccd0c-1
0.442
EDJ-MED-ede277f6-1
0.440
PET-UNK-ff046148-2
0.438
BEN-DND-fa51d92c-15
0.437
EDJ-MED-28cccd0c-2
0.436
EDJ-MED-54fbebd8-4
0.435
ALP-POS-6f6ae286-6
0.434
BEN-DND-f06bfa8e-3
0.434
EDJ-MED-e69ed63d-1
0.434
DAR-DIA-d8bd013f-3
0.432
EDJ-MED-28cccd0c-4
0.432
DAR-DIA-d8bd013f-1
0.432
MAT-POS-5cd9ea36-14
0.432
BEN-DND-f6031113-21
0.431
EDJ-MED-139368ae-5
0.431
BEN-DND-fa51d92c-2
0.431
EDJ-MED-ede277f6-10
0.429
EDJ-MED-7889e8da-2
0.427
EDJ-MED-be9e6f63-2
0.427
EDJ-MED-139368ae-3
0.427
EDJ-MED-54fbebd8-3
0.426
EDJ-MED-54fbebd8-5
0.424
EDJ-MED-139368ae-2
0.421
PET-UNK-03fd2068-1
0.420
BEN-DND-f6031113-6
0.419
ALP-POS-6f6ae286-4
0.417
BEN-DND-f06bfa8e-1
0.416
EDJ-MED-139368ae-1
0.415
EDJ-MED-e69ed63d-7
0.415
EDJ-MED-e69ed63d-11
0.415
EDJ-MED-c82a5324-1
0.413
DAR-DIA-d8bd013f-4
0.413
DAR-DIA-d8bd013f-2
0.413
BEN-DND-f06bfa8e-4
0.412
PET-UNK-03fd2068-2
0.412
PET-UNK-b78139fa-5
0.411
EDJ-MED-28cccd0c-3
0.410
PET-UNK-1e13ef09-1
0.409
BEN-DND-f6031113-13
0.408
EDJ-MED-139368ae-4
0.407
BEN-DND-f6031113-5
0.406
JOH-UNI-6b98e24c-2
0.405
EDJ-MED-e69ed63d-13
0.405
BEN-DND-f6031113-22
0.403
ALP-POS-6f6ae286-1
0.400
PET-UNK-2c6614b6-5
0.400
PET-UNK-7279c968-5
0.400
MAT-POS-86c60949-1
0.400
EDJ-MED-b7309adf-1
0.400
EDJ-MED-e69ed63d-3
0.400
DAR-DIA-d8bd013f-9
0.398
DAR-DIA-d8bd013f-10
0.398