Molecular Properties | |
SMILES: | C[C@]1(C(=O)Nc2cncc3ccc(S(C)(=O)=O)cc23)CN(S(C)(=O)=O)Cc2ccc(Cl)cc21 |
MW: | 507.07 |
Fraction sp3: | 0.27 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 113.51 |
cLogP: | 2.96 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-670ad2ee-4
1.000
EDJ-MED-923a35c2-3
0.778
FRA-DIA-6238d354-1
0.695
EDJ-MED-923a35c2-1
0.695
EDJ-MED-923a35c2-4
0.629
EDJ-MED-841e0cf0-8
0.592
EDJ-MED-670ad2ee-12
0.592
EDJ-MED-670ad2ee-11
0.592
EDJ-MED-923a35c2-2
0.587
MAT-POS-64942dd0-4
0.586
PET-UNK-757f8bc8-8
0.578
PET-UNK-757f8bc8-7
0.567
MAT-POS-edabd372-2
0.564
FRA-DIA-6238d354-2
0.560
PET-UNK-757f8bc8-5
0.557
PET-UNK-757f8bc8-6
0.551
EDJ-MED-82bd779b-1
0.551
ALP-POS-c56c1477-4
0.546
MAT-POS-89bd6af1-1
0.546
EDJ-MED-841e0cf0-3
0.544
EDJ-MED-670ad2ee-3
0.544
EDJ-MED-923a35c2-5
0.544
PET-UNK-6da3dcd8-2
0.530
ALP-POS-e266d783-2
0.525
MAT-POS-89bd6af1-3
0.525
MAT-UNK-28cf4d29-1
0.525
PET-UNK-b566c0b0-2
0.524
PET-UNK-bcc8fd08-5
0.523
PET-UNK-6da3dcd8-1
0.510
JOH-UNI-e398da21-2
0.510
MIC-UNK-ea4eb352-2
0.510
ALP-POS-5290f14d-1
0.510
MIC-UNK-6e9f8a43-1
0.510
PET-UNK-9bf1291a-1
0.510
MAT-POS-64942dd0-1
0.509
EDJ-MED-611d11e7-1
0.505
MAT-POS-96f51285-2
0.505
EDJ-MED-827e7cb4-6
0.491
PET-UNK-f4e47ebd-25
0.491
PET-UNK-bcc8fd08-4
0.486
EDJ-MED-ce467fd5-3
0.482
PET-UNK-ad758083-1
0.482
PET-UNK-b566c0b0-7
0.477
PET-UNK-0d6841fa-1
0.477
PET-UNK-03fd2068-10
0.473
PET-UNK-f4e47ebd-26
0.468
PET-UNK-b38839dc-22
0.468
PET-UNK-b38839dc-23
0.468
PET-UNK-81b485b5-12
0.468
PET-UNK-81b485b5-26
0.468
PET-UNK-6da3dcd8-12
0.467
PET-UNK-f4e47ebd-24
0.463
EDJ-MED-378a25ea-10
0.462
EDG-MED-b8f93667-4
0.459
PET-UNK-b38839dc-21
0.459
TET-ENA-9b1de71a-1
0.458
PET-UNK-c65ea24c-1
0.455
PET-UNK-b566c0b0-8
0.455
PET-UNK-c761fc18-2
0.455
PET-UNK-1e13ef09-2
0.454
PET-UNK-c65ea24c-3
0.454
ALP-POS-e6e0c683-4
0.454
EDJ-MED-93390d0c-4
0.450
PET-UNK-f4e47ebd-27
0.450
PET-UNK-6da3dcd8-4
0.450
EDJ-MED-827e7cb4-5
0.449
PET-UNK-6da3dcd8-11
0.446
PET-UNK-03fd2068-9
0.446
EDJ-MED-946e547c-1
0.446
MAT-POS-edabd372-1
0.444
PET-UNK-9bf1291a-2
0.444
EDG-MED-b8f93667-6
0.440
ALF-EVA-82cf4849-8
0.438
PET-UNK-c761fc18-6
0.436
PET-UNK-c65ea24c-5
0.436
EDG-MED-b8f93667-8
0.436
MAT-POS-83f73d0a-3
0.434
EDJ-MED-841e0cf0-2
0.434
EDJ-MED-670ad2ee-2
0.434
EDG-MED-10fcb19e-3
0.434
MIC-UNK-ea4eb352-10
0.434
EDJ-MED-93390d0c-1
0.431
PET-UNK-bcc8fd08-6
0.431
EDJ-MED-b2a1399d-2
0.431
ERI-UCB-8d4e5055-4
0.430
BEN-DND-c852c98b-5
0.430
PET-UNK-6da3dcd8-3
0.429
EDJ-MED-b2a1399d-1
0.427
EDJ-MED-c3ea9889-3
0.427
PET-UNK-c65ea24c-6
0.427
PET-UNK-757f8bc8-3
0.426
MAT-POS-a334828f-3
0.426
EDJ-MED-cf877e1d-2
0.425
EDJ-MED-827e7cb4-2
0.425
PET-UNK-88d26eaf-1
0.425
PET-UNK-03fd2068-3
0.422
PET-UNK-c65ea24c-2
0.420
EDJ-MED-e4b030d8-13
0.419
MAT-POS-8e4737f4-1
0.419
DAR-DIA-6a508060-10
0.419