Molecular Properties | |
SMILES: | COCCO[C@@]1(C(=O)Nc2cncc3ccccc23)CN(S(=O)(=O)N(C)C)Cc2ccc(Cl)cc21 |
MW: | 518.14 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 101.07 |
cLogP: | 3.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
Hetero_hetero
PET-UNK-0d6841fa-2
0.895
PET-UNK-ad758083-1
0.832
EDJ-MED-cf877e1d-2
0.792
PET-UNK-88d26eaf-1
0.792
PET-UNK-0d6841fa-1
0.733
EDJ-MED-e9a22d5d-2
0.670
PET-UNK-9bf1291a-1
0.663
MIC-UNK-ea4eb352-2
0.663
ALP-POS-5290f14d-1
0.663
PET-UNK-757f8bc8-3
0.651
PET-UNK-757f8bc8-4
0.645
PET-UNK-b566c0b0-8
0.642
PET-UNK-6da3dcd8-4
0.641
PET-UNK-6da3dcd8-3
0.629
PET-UNK-ad758083-4
0.620
PET-UNK-c65ea24c-7
0.618
PET-UNK-bcc8fd08-4
0.617
PET-UNK-b566c0b0-9
0.609
PET-UNK-0d6841fa-7
0.607
EDJ-MED-b1cef252-2
0.602
MAT-POS-89bd6af1-2
0.602
MAT-POS-83a7b0a0-2
0.602
PET-UNK-6da3dcd8-8
0.602
PET-UNK-757f8bc8-2
0.598
PET-UNK-b38839dc-25
0.595
PET-UNK-757f8bc8-1
0.593
PET-UNK-b38839dc-26
0.589
PET-UNK-6da3dcd8-5
0.588
PET-UNK-3bb57da2-3
0.583
PET-UNK-757f8bc8-7
0.582
PET-UNK-9bf1291a-3
0.571
PET-UNK-757f8bc8-11
0.570
EDJ-MED-b1cef252-1
0.570
MAT-POS-83a7b0a0-1
0.570
MAT-POS-89bd6af1-4
0.570
PET-UNK-0d6841fa-6
0.568
PET-UNK-0d6841fa-4
0.561
PET-UNK-9bf1291a-5
0.560
PET-UNK-9b23ef84-4
0.558
PET-UNK-ad758083-5
0.554
PET-UNK-5d7c542f-3
0.553
PET-UNK-c65ea24c-9
0.550
PET-UNK-c65ea24c-12
0.550
PET-UNK-4880b143-1
0.549
PET-UNK-6da3dcd8-2
0.547
PET-UNK-ad758083-3
0.545
PET-UNK-9b23ef84-8
0.544
PET-UNK-1b92fa34-5
0.542
PET-UNK-6da3dcd8-1
0.541
PET-UNK-5d7c542f-4
0.540
PET-UNK-b38839dc-24
0.540
PET-UNK-757f8bc8-8
0.536
PET-UNK-c65ea24c-8
0.535
PET-UNK-0cc03aae-3
0.534
EDJ-MED-841e0cf0-3
0.532
EDJ-MED-670ad2ee-3
0.532
EDJ-MED-923a35c2-5
0.532
EDJ-MED-841e0cf0-2
0.531
EDJ-MED-670ad2ee-2
0.531
MIC-UNK-ea4eb352-10
0.531
PET-UNK-757f8bc8-12
0.530
PET-UNK-9b23ef84-12
0.530
EDJ-MED-841e0cf0-1
0.527
MIC-UNK-6e9f8a43-1
0.527
MIC-UNK-ea4eb352-6
0.527
JOH-UNI-e398da21-2
0.527
EDJ-MED-670ad2ee-1
0.527
PET-UNK-3bb57da2-2
0.526
PET-UNK-c65ea24c-11
0.526
PET-UNK-0cc03aae-4
0.525
PET-UNK-3bb57da2-1
0.522
PET-UNK-c65ea24c-10
0.522
MAR-UCB-6ab2ec87-3
0.519
PET-UNK-824b5c6a-1
0.514
PET-UNK-824b5c6a-2
0.513
PET-UNK-c65ea24c-1
0.513
MIC-UNK-ddc6ad53-3
0.513
PET-UNK-757f8bc8-6
0.513
EDJ-MED-82bd779b-1
0.513
PET-UNK-0d6841fa-5
0.513
PET-UNK-c0891748-3
0.509
PET-UNK-c0891748-9
0.509
PET-UNK-f4e47ebd-25
0.509
PET-UNK-f4e47ebd-24
0.509
FRA-DIA-6238d354-1
0.509
EDJ-MED-923a35c2-1
0.509
PET-UNK-49566573-1
0.509
PET-UNK-0cc03aae-2
0.508
ED_-GRI-5b13fbe2-29
0.508
PET-UNK-757f8bc8-10
0.508
PET-UNK-022eab87-2
0.505
EDJ-MED-d08626de-1
0.505
PET-UNK-29afea89-2
0.505
EDG-MED-0e5afe9d-3
0.505
EDJ-MED-d08626de-2
0.505
RAL-THA-58fba2bc-4
0.504
ED_-GRI-5b13fbe2-72
0.504
EDG-MED-4c68219f-10
0.504
PET-UNK-03fd2068-9
0.504
EDG-MED-4c68219f-16
0.504