Molecular Properties | |
SMILES: | COC1(C(=O)Nc2cncc3ccc(S(C)(=O)=O)cc23)CN(S(C)(=O)=O)Cc2cc(F)c(Cl)cc21 |
MW: | 541.05 |
Fraction sp3: | 0.27 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 122.74 |
cLogP: | 2.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-03fd2068-10
0.819
MIC-UNK-ea4eb352-10
0.763
EDJ-MED-670ad2ee-2
0.763
EDJ-MED-841e0cf0-2
0.763
FRA-DIA-6238d354-1
0.753
EDJ-MED-923a35c2-1
0.753
PET-UNK-f4e47ebd-29
0.745
EDJ-MED-923a35c2-3
0.724
PET-UNK-f4e47ebd-28
0.710
PET-UNK-f4e47ebd-30
0.699
PET-UNK-03fd2068-11
0.696
PET-UNK-f4e47ebd-31
0.680
EDJ-MED-841e0cf0-3
0.631
EDJ-MED-670ad2ee-3
0.631
EDJ-MED-923a35c2-5
0.631
EDJ-MED-841e0cf0-1
0.612
EDJ-MED-670ad2ee-1
0.612
MIC-UNK-ea4eb352-6
0.612
EDJ-MED-923a35c2-4
0.590
EDJ-MED-93390d0c-4
0.589
EDJ-MED-670ad2ee-4
0.587
EDJ-MED-841e0cf0-4
0.587
EDJ-MED-946e547c-1
0.583
PET-UNK-b566c0b0-7
0.573
PET-UNK-9bf1291a-1
0.566
ALP-POS-5290f14d-1
0.566
MIC-UNK-ea4eb352-2
0.566
PET-UNK-9b23ef84-1
0.561
PET-UNK-b566c0b0-2
0.550
PET-UNK-b38839dc-22
0.550
PET-UNK-f4e47ebd-25
0.546
MAT-POS-64942dd0-4
0.537
MAT-POS-64942dd0-1
0.536
PET-UNK-b38839dc-23
0.536
EDJ-MED-611d11e7-1
0.532
MAT-POS-96f51285-2
0.532
PET-UNK-03fd2068-9
0.527
PET-UNK-81b485b5-26
0.522
PET-UNK-f4e47ebd-26
0.522
PET-UNK-b566c0b0-8
0.522
PET-UNK-81b485b5-12
0.522
EDJ-MED-ce467fd5-3
0.521
PET-UNK-f4e47ebd-24
0.518
PET-UNK-c65ea24c-1
0.509
PET-UNK-bcc8fd08-5
0.509
PET-UNK-1b92fa34-8
0.505
PET-UNK-f4e47ebd-27
0.504
PET-UNK-b38839dc-21
0.500
PET-UNK-9b23ef84-9
0.500
PET-UNK-9b23ef84-5
0.500
PET-UNK-9b23ef84-13
0.500
PET-UNK-c65ea24c-3
0.495
EDJ-MED-670ad2ee-11
0.486
FRA-DIA-6238d354-2
0.486
EDJ-MED-841e0cf0-8
0.486
EDJ-MED-670ad2ee-12
0.486
PET-UNK-9bf1291a-2
0.486
PET-UNK-c65ea24c-6
0.482
PET-UNK-c65ea24c-2
0.474
PET-UNK-c761fc18-2
0.470
PET-UNK-757f8bc8-3
0.466
PET-UNK-88d26eaf-1
0.466
ALF-EVA-82cf4849-8
0.466
EDJ-MED-cf877e1d-2
0.466
PET-UNK-1b92fa34-7
0.465
PET-UNK-c761fc18-6
0.465
PET-UNK-c65ea24c-5
0.465
PET-UNK-9bf1291a-4
0.462
EDG-MED-10fcb19e-3
0.462
PET-UNK-b38839dc-25
0.458
PET-UNK-ad758083-1
0.458
PET-UNK-c65ea24c-4
0.457
MAT-POS-edabd372-2
0.452
PET-UNK-757f8bc8-4
0.450
PET-UNK-bcc8fd08-4
0.449
MAT-POS-96f51285-4
0.447
PET-UNK-03fd2068-7
0.447
EDJ-MED-611d11e7-3
0.447
EDJ-MED-93390d0c-3
0.444
MAT-POS-89bd6af1-2
0.444
PET-UNK-6da3dcd8-5
0.444
PET-UNK-6da3dcd8-8
0.444
EDJ-MED-b1cef252-2
0.444
MAT-POS-83a7b0a0-2
0.444
PET-UNK-b38839dc-26
0.443
BEN-DND-a02b439d-12
0.442
PET-UNK-0d6841fa-1
0.442
EDJ-MED-827e7cb4-6
0.441
PET-UNK-757f8bc8-2
0.439
PET-UNK-757f8bc8-1
0.435
PET-UNK-b566c0b0-9
0.434
PET-UNK-9bf1291a-3
0.430
MAT-POS-64942dd0-2
0.427
PET-UNK-03fd2068-5
0.427
PET-UNK-1b92fa34-6
0.426
PET-UNK-bcc8fd08-6
0.423
PET-UNK-329a9ce9-5
0.421
PET-UNK-c65ea24c-7
0.419
MAT-POS-89bd6af1-4
0.419
EDJ-MED-b1cef252-1
0.419