Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3cc(F)ccc23)CN(S(=O)(=O)CC2(C#N)CC2)Cc2ccc(Cl)cc21 |
MW: | 528.1 |
Fraction sp3: | 0.32 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 112.39 |
cLogP: | 3.96 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-6da3dcd8-8
0.783
MAT-POS-89bd6af1-2
0.783
EDJ-MED-b1cef252-2
0.783
MAT-POS-83a7b0a0-2
0.783
PET-UNK-03fd2068-9
0.757
PET-UNK-6da3dcd8-20
0.727
PET-UNK-b566c0b0-9
0.713
PET-UNK-6da3dcd8-19
0.708
PET-UNK-6da3dcd8-15
0.693
PET-UNK-bcc8fd08-6
0.637
PET-UNK-c65ea24c-1
0.625
PET-UNK-03fd2068-11
0.605
PET-UNK-757f8bc8-3
0.605
PET-UNK-757f8bc8-1
0.593
PET-UNK-c65ea24c-7
0.590
EDJ-MED-841e0cf0-3
0.589
EDJ-MED-670ad2ee-3
0.589
EDJ-MED-923a35c2-5
0.589
PET-UNK-757f8bc8-4
0.586
EDJ-MED-7889e8da-2
0.580
EDJ-MED-be9e6f63-2
0.580
PET-UNK-9bf1291a-1
0.571
MIC-UNK-ea4eb352-2
0.571
ALP-POS-5290f14d-1
0.571
PET-UNK-757f8bc8-2
0.571
MAT-POS-89bd6af1-1
0.563
ALP-POS-c56c1477-4
0.563
PET-UNK-6da3dcd8-10
0.563
PET-UNK-6e612674-5
0.557
PET-UNK-6e612674-13
0.557
PET-UNK-b566c0b0-8
0.556
PET-UNK-b38839dc-22
0.556
ALP-POS-6f6ae286-4
0.553
PET-UNK-b566c0b0-1
0.553
PET-UNK-f4e47ebd-24
0.553
PET-UNK-f4e47ebd-27
0.552
PET-UNK-b78139fa-14
0.545
PET-UNK-6da3dcd8-12
0.544
PET-UNK-b38839dc-23
0.542
PET-UNK-6da3dcd8-9
0.541
PET-UNK-88d26eaf-1
0.538
EDJ-MED-cf877e1d-2
0.538
PET-UNK-c65ea24c-13
0.538
PET-UNK-6da3dcd8-5
0.537
PET-UNK-9bf1291a-4
0.534
PET-UNK-6da3dcd8-11
0.534
PET-UNK-b38839dc-25
0.529
PET-UNK-f4e47ebd-25
0.526
PET-UNK-9bf1291a-5
0.521
PET-UNK-6da3dcd8-14
0.521
PET-UNK-6da3dcd8-13
0.521
PET-UNK-5d7c542f-1
0.517
ALP-POS-6f6ae286-3
0.517
PET-UNK-4b4f2bb7-5
0.513
ALP-POS-6f6ae286-2
0.513
EDJ-MED-923a35c2-1
0.513
FRA-DIA-6238d354-1
0.513
PET-UNK-b38839dc-26
0.512
PET-UNK-6da3dcd8-17
0.512
PET-UNK-c65ea24c-2
0.508
PET-UNK-c65ea24c-6
0.504
PET-UNK-c65ea24c-4
0.504
PET-UNK-f4e47ebd-26
0.504
PET-UNK-6da3dcd8-16
0.500
PET-UNK-9bf1291a-2
0.496
PET-UNK-bcc8fd08-5
0.492
PET-UNK-ad758083-1
0.492
PET-UNK-c761fc18-2
0.492
MAT-POS-89bd6af1-4
0.492
PET-UNK-c65ea24c-3
0.492
EDJ-MED-b1cef252-1
0.492
MAT-POS-83a7b0a0-1
0.492
PET-UNK-6e612674-9
0.487
PET-UNK-6e612674-1
0.487
PET-UNK-c761fc18-6
0.487
PET-UNK-f9b7ae87-5
0.487
PET-UNK-c65ea24c-5
0.487
PET-UNK-81b485b5-6
0.487
PET-UNK-81b485b5-20
0.487
EDG-MED-b8f93667-1
0.484
PET-UNK-bcc8fd08-4
0.484
PET-UNK-b38839dc-21
0.483
EDJ-MED-e9a22d5d-2
0.480
PET-UNK-ff046148-2
0.480
PET-UNK-9bf1291a-3
0.479
PET-UNK-c65ea24c-8
0.476
PET-UNK-c65ea24c-10
0.476
PET-UNK-0d6841fa-1
0.476
PET-UNK-c65ea24c-12
0.475
PET-UNK-03fd2068-8
0.475
MAT-POS-b4d6b7fc-9
0.472
MAT-POS-81ae2990-9
0.472
EDJ-MED-841e0cf0-2
0.472
PET-UNK-03fd2068-10
0.472
EDJ-MED-670ad2ee-2
0.472
MIC-UNK-ea4eb352-10
0.472
EDJ-MED-ede277f6-10
0.469
EDJ-MED-be9e6f63-1
0.469
BEN-DND-a88ffd65-2
0.468
PET-UNK-c65ea24c-11
0.468