Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3ccc(S(C)(=O)=O)cc23)CN(S(=O)(=O)N(C)C)Cc2ccccc21 |
MW: | 518.13 |
Fraction sp3: | 0.3 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 125.98 |
cLogP: | 1.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
FRA-DIA-6238d354-1
0.594
EDJ-MED-923a35c2-1
0.594
PET-UNK-b566c0b0-8
0.583
PET-UNK-88d26eaf-1
0.579
EDJ-MED-cf877e1d-2
0.579
EDJ-MED-923a35c2-2
0.573
PET-UNK-b38839dc-25
0.526
PET-UNK-c65ea24c-7
0.509
PET-UNK-b38839dc-26
0.509
PET-UNK-b566c0b0-2
0.500
PET-UNK-ad758083-2
0.496
EDJ-MED-ce467fd5-3
0.487
PET-UNK-b566c0b0-9
0.487
PET-UNK-b38839dc-24
0.487
EDJ-MED-93390d0c-4
0.482
PET-UNK-c65ea24c-9
0.482
EDJ-MED-611d11e7-1
0.482
MAT-POS-96f51285-2
0.482
EDJ-MED-841e0cf0-4
0.477
EDJ-MED-670ad2ee-4
0.477
PET-UNK-0d6841fa-2
0.475
EDJ-MED-923a35c2-3
0.474
MIC-UNK-ea4eb352-6
0.473
EDJ-MED-841e0cf0-1
0.473
EDJ-MED-670ad2ee-1
0.473
PET-UNK-c65ea24c-12
0.470
EDJ-MED-946e547c-1
0.466
EDJ-MED-841e0cf0-3
0.465
EDJ-MED-670ad2ee-3
0.465
EDJ-MED-923a35c2-5
0.465
ALP-POS-5290f14d-1
0.460
MIC-UNK-ea4eb352-2
0.460
PET-UNK-9bf1291a-1
0.460
PET-UNK-c65ea24c-8
0.458
PET-UNK-03fd2068-10
0.453
PET-UNK-c65ea24c-11
0.449
PET-UNK-81b485b5-26
0.449
PET-UNK-81b485b5-12
0.449
PET-UNK-c65ea24c-10
0.445
PET-UNK-757f8bc8-4
0.442
MIC-UNK-ea4eb352-10
0.441
EDJ-MED-841e0cf0-2
0.441
EDJ-MED-670ad2ee-2
0.441
PET-UNK-6da3dcd8-4
0.431
PET-UNK-b38839dc-22
0.425
PET-UNK-6da3dcd8-3
0.424
PET-UNK-757f8bc8-3
0.421
ALF-EVA-82cf4849-8
0.420
PET-UNK-f4e47ebd-25
0.419
EDG-MED-10fcb19e-3
0.417
PET-UNK-6da3dcd8-5
0.413
BEN-DND-a02b439d-12
0.409
PET-UNK-757f8bc8-2
0.408
PET-UNK-f4e47ebd-29
0.405
PET-UNK-757f8bc8-1
0.405
FRA-DIA-6238d354-2
0.402
PET-UNK-9bf1291a-2
0.402
PET-UNK-c65ea24c-1
0.402
PET-UNK-b38839dc-23
0.402
PET-UNK-ad758083-1
0.402
PET-UNK-f4e47ebd-26
0.402
MAT-POS-89bd6af1-2
0.402
EDJ-MED-b1cef252-2
0.402
PET-UNK-6da3dcd8-8
0.402
MAT-POS-83a7b0a0-2
0.402
MAT-POS-89bd6af1-4
0.398
MAT-POS-83a7b0a0-1
0.398
EDJ-MED-b1cef252-1
0.398
PET-UNK-9bf1291a-3
0.397
PET-UNK-f4e47ebd-24
0.395
PET-UNK-9bf1291a-4
0.393
PET-UNK-bcc8fd08-5
0.390
EDJ-MED-670ad2ee-11
0.390
EDJ-MED-841e0cf0-8
0.390
EDJ-MED-670ad2ee-12
0.390
PET-UNK-e9bc7c59-10
0.389
PET-UNK-329a9ce9-6
0.387
PET-UNK-f4e47ebd-27
0.385
MAT-POS-edabd372-2
0.383
PET-UNK-9b23ef84-1
0.383
PET-UNK-03fd2068-9
0.382
PET-UNK-bcc8fd08-4
0.382
PET-UNK-f4e47ebd-28
0.382
EDJ-MED-e9a22d5d-2
0.381
PET-UNK-f4e47ebd-30
0.381
PET-UNK-b38839dc-21
0.380
PET-UNK-9bf1291a-5
0.380
MAT-POS-78e1d523-3
0.379
EDJ-MED-d08626de-3
0.379
MAT-POS-78e1d523-4
0.379
EDJ-MED-d08626de-4
0.379
EDJ-MED-d08626de-5
0.379
EDJ-MED-37aac4bd-1
0.379
PET-UNK-329a9ce9-5
0.379
DAR-DIA-9f765dc6-17
0.379
DAR-DIA-9f765dc6-16
0.379
DAR-DIA-9f765dc6-18
0.379
BEN-DND-a02b439d-11
0.378
MAT-POS-64942dd0-1
0.377
EDJ-MED-378a25ea-10
0.377