Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3ccc(S(C)(=O)=O)cc23)CN(S(C)(=O)=O)Cc2ccc(Cl)cc21 |
MW: | 523.06 |
Fraction sp3: | 0.27 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 122.74 |
cLogP: | 2.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
FRA-DIA-6238d354-1
1.000
EDJ-MED-670ad2ee-3
0.802
EDJ-MED-923a35c2-5
0.802
EDJ-MED-841e0cf0-3
0.802
PET-UNK-9bf1291a-1
0.761
ALP-POS-5290f14d-1
0.761
MIC-UNK-ea4eb352-2
0.761
EDJ-MED-923a35c2-2
0.753
PET-UNK-f4e47ebd-25
0.734
PET-UNK-f4e47ebd-24
0.698
PET-UNK-f4e47ebd-26
0.697
PET-UNK-b38839dc-22
0.697
PET-UNK-b38839dc-23
0.697
EDJ-MED-670ad2ee-4
0.695
EDJ-MED-841e0cf0-4
0.695
PET-UNK-c65ea24c-1
0.680
PET-UNK-f4e47ebd-27
0.677
PET-UNK-b38839dc-21
0.673
PET-UNK-c65ea24c-3
0.670
PET-UNK-03fd2068-9
0.670
PET-UNK-c65ea24c-6
0.653
PET-UNK-b566c0b0-2
0.650
PET-UNK-b566c0b0-8
0.647
PET-UNK-c65ea24c-2
0.640
PET-UNK-c761fc18-2
0.634
PET-UNK-bcc8fd08-5
0.631
PET-UNK-c65ea24c-5
0.630
PET-UNK-c761fc18-6
0.630
PET-UNK-03fd2068-10
0.621
PET-UNK-c65ea24c-4
0.618
PET-UNK-88d26eaf-1
0.612
EDJ-MED-cf877e1d-2
0.612
PET-UNK-ad758083-1
0.600
EDJ-MED-611d11e7-1
0.598
MAT-POS-96f51285-2
0.598
PET-UNK-757f8bc8-3
0.594
PET-UNK-b566c0b0-7
0.594
PET-UNK-bcc8fd08-4
0.590
PET-UNK-757f8bc8-4
0.589
EDJ-MED-ce467fd5-3
0.582
PET-UNK-0d6841fa-1
0.579
PET-UNK-9bf1291a-2
0.578
EDJ-MED-b1cef252-2
0.577
PET-UNK-6da3dcd8-8
0.577
MAT-POS-83a7b0a0-2
0.577
MAT-POS-89bd6af1-2
0.577
MIC-UNK-ea4eb352-10
0.575
EDJ-MED-670ad2ee-2
0.575
EDJ-MED-841e0cf0-2
0.575
EDJ-MED-841e0cf0-1
0.573
EDJ-MED-670ad2ee-1
0.573
MIC-UNK-ea4eb352-6
0.573
PET-UNK-757f8bc8-2
0.573
EDJ-MED-923a35c2-3
0.571
PET-UNK-b38839dc-25
0.569
PET-UNK-757f8bc8-1
0.568
PET-UNK-b38839dc-26
0.564
PET-UNK-6da3dcd8-5
0.562
PET-UNK-9bf1291a-4
0.561
PET-UNK-c65ea24c-7
0.550
FRA-DIA-6238d354-2
0.548
PET-UNK-f4e47ebd-29
0.546
PET-UNK-9bf1291a-3
0.544
MAT-POS-89bd6af1-4
0.543
EDJ-MED-b1cef252-1
0.543
MAT-POS-83a7b0a0-1
0.543
PET-UNK-81b485b5-26
0.541
PET-UNK-81b485b5-12
0.541
PET-UNK-b38839dc-24
0.541
PET-UNK-b566c0b0-9
0.541
PET-UNK-c65ea24c-9
0.537
PET-UNK-c65ea24c-12
0.537
PET-UNK-9bf1291a-5
0.533
PET-UNK-bcc8fd08-6
0.527
EDJ-MED-e9a22d5d-2
0.527
EDJ-MED-93390d0c-4
0.523
ALF-EVA-82cf4849-8
0.523
PET-UNK-c65ea24c-8
0.523
EDG-MED-10fcb19e-3
0.518
EDJ-MED-946e547c-1
0.518
PET-UNK-f4e47ebd-28
0.518
PET-UNK-c65ea24c-11
0.514
PET-UNK-f4e47ebd-30
0.513
PET-UNK-6da3dcd8-18
0.513
PET-UNK-03fd2068-11
0.509
PET-UNK-ad758083-2
0.509
PET-UNK-6da3dcd8-2
0.505
PET-UNK-6da3dcd8-15
0.504
PET-UNK-6da3dcd8-1
0.500
PET-UNK-329a9ce9-5
0.500
PET-UNK-c65ea24c-10
0.496
PET-UNK-f4e47ebd-31
0.496
PET-UNK-c65ea24c-13
0.495
PET-UNK-9b23ef84-4
0.491
PET-UNK-9b23ef84-8
0.491
PET-UNK-9b23ef84-12
0.491
PET-UNK-0d6841fa-2
0.487
MIC-UNK-6e9f8a43-1
0.486
JOH-UNI-e398da21-2
0.486
PET-UNK-329a9ce9-6
0.482