Molecular Properties | |
SMILES: | COCCO[C@@]1(C(=O)Nc2cncc3ccccc23)CN(S(C)(=O)=O)Cc2ccc(Cl)cc21 |
MW: | 489.11 |
Fraction sp3: | 0.3 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 97.83 |
cLogP: | 3.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
Hetero_hetero
PET-UNK-0d6841fa-1
0.879
PET-UNK-ad758083-2
0.832
PET-UNK-9bf1291a-1
0.783
ALP-POS-5290f14d-1
0.783
MIC-UNK-ea4eb352-2
0.783
PET-UNK-0d6841fa-2
0.743
PET-UNK-bcc8fd08-4
0.724
EDJ-MED-e9a22d5d-2
0.680
PET-UNK-757f8bc8-3
0.676
EDJ-MED-cf877e1d-2
0.663
PET-UNK-88d26eaf-1
0.663
PET-UNK-ad758083-4
0.644
EDJ-MED-b1cef252-2
0.639
MAT-POS-83a7b0a0-2
0.639
MAT-POS-89bd6af1-2
0.639
PET-UNK-6da3dcd8-8
0.639
PET-UNK-757f8bc8-4
0.638
PET-UNK-6da3dcd8-2
0.633
PET-UNK-0d6841fa-7
0.631
EDJ-MED-841e0cf0-3
0.627
EDJ-MED-670ad2ee-3
0.627
EDJ-MED-923a35c2-5
0.627
PET-UNK-757f8bc8-2
0.620
PET-UNK-757f8bc8-7
0.619
PET-UNK-757f8bc8-1
0.615
EDJ-MED-670ad2ee-2
0.610
EDJ-MED-841e0cf0-2
0.610
MIC-UNK-ea4eb352-10
0.610
PET-UNK-6da3dcd8-5
0.609
EDJ-MED-841e0cf0-1
0.608
MIC-UNK-ea4eb352-6
0.608
PET-UNK-6da3dcd8-1
0.608
EDJ-MED-670ad2ee-1
0.608
JOH-UNI-e398da21-2
0.608
MIC-UNK-6e9f8a43-1
0.608
PET-UNK-c65ea24c-1
0.604
PET-UNK-f4e47ebd-24
0.602
PET-UNK-f4e47ebd-25
0.602
FRA-DIA-6238d354-1
0.600
EDJ-MED-923a35c2-1
0.600
PET-UNK-03fd2068-9
0.594
PET-UNK-9bf1291a-3
0.594
MAT-POS-83a7b0a0-1
0.592
MAT-POS-89bd6af1-4
0.592
EDJ-MED-b1cef252-1
0.592
PET-UNK-0d6841fa-6
0.589
PET-UNK-bcc8fd08-5
0.589
PET-UNK-b38839dc-22
0.589
PET-UNK-0d6841fa-4
0.582
PET-UNK-9bf1291a-5
0.581
PET-UNK-757f8bc8-11
0.577
PET-UNK-3bb57da2-3
0.575
PET-UNK-ad758083-5
0.574
PET-UNK-b38839dc-23
0.574
PET-UNK-ad758083-3
0.565
PET-UNK-9b23ef84-4
0.564
PET-UNK-9b23ef84-8
0.564
PET-UNK-1b92fa34-5
0.563
PET-UNK-f4e47ebd-26
0.560
PET-UNK-bcc8fd08-6
0.559
PET-UNK-6da3dcd8-4
0.557
PET-UNK-f4e47ebd-27
0.556
PET-UNK-9b23ef84-12
0.550
PET-UNK-c65ea24c-6
0.547
EDJ-MED-82bd779b-1
0.545
PET-UNK-757f8bc8-6
0.545
PET-UNK-757f8bc8-8
0.541
PET-UNK-4880b143-1
0.541
MAT-POS-89bd6af1-1
0.540
ALP-POS-c56c1477-4
0.540
PET-UNK-c65ea24c-3
0.533
MAT-POS-64942dd0-4
0.533
PET-UNK-6da3dcd8-3
0.532
PET-UNK-5d7c542f-4
0.532
PET-UNK-b566c0b0-8
0.532
PET-UNK-0d6841fa-5
0.531
PET-UNK-6da3dcd8-10
0.526
PET-UNK-0cc03aae-3
0.526
PET-UNK-022eab87-2
0.524
PET-UNK-b38839dc-21
0.523
PET-UNK-c65ea24c-2
0.523
PET-UNK-757f8bc8-5
0.522
ALP-POS-e266d783-2
0.519
MAT-POS-89bd6af1-3
0.519
MAT-UNK-28cf4d29-1
0.519
PET-UNK-0d6841fa-3
0.518
PET-UNK-5d7c542f-3
0.518
PET-UNK-c0891748-3
0.514
PET-UNK-c0891748-9
0.514
PET-UNK-c761fc18-6
0.514
PET-UNK-c65ea24c-5
0.514
PET-UNK-3bb57da2-1
0.514
PET-UNK-c65ea24c-7
0.513
PET-UNK-757f8bc8-10
0.513
MAR-UCB-6ab2ec87-3
0.510
EDG-MED-0e5afe9d-3
0.509
PET-UNK-29afea89-2
0.509
EDJ-MED-d08626de-2
0.509
EDJ-MED-d08626de-1
0.509
PET-UNK-1abb40f2-2
0.509