Molecular Properties | |
SMILES: | COC1(C(=O)Nc2cncc3ccccc23)CN(S(C)(=O)=O)Cc2cc(Cl)c(Cl)cc21 |
MW: | 479.05 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 88.6 |
cLogP: | 3.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-670ad2ee-1
1.000
MIC-UNK-ea4eb352-6
1.000
EDJ-MED-841e0cf0-2
0.811
MIC-UNK-ea4eb352-10
0.811
EDJ-MED-670ad2ee-2
0.811
ALP-POS-5290f14d-1
0.756
PET-UNK-9bf1291a-1
0.756
MIC-UNK-ea4eb352-2
0.756
BEN-DND-a02b439d-12
0.742
PET-UNK-03fd2068-10
0.646
EDJ-MED-cf877e1d-2
0.620
PET-UNK-88d26eaf-1
0.620
PET-UNK-03fd2068-11
0.618
PET-UNK-f4e47ebd-29
0.614
PET-UNK-f4e47ebd-28
0.614
EDJ-MED-923a35c2-2
0.612
PET-UNK-ad758083-1
0.608
PET-UNK-9b23ef84-1
0.606
BEN-DND-a02b439d-13
0.604
PET-UNK-757f8bc8-3
0.602
EDJ-MED-670ad2ee-3
0.600
EDJ-MED-923a35c2-5
0.600
EDJ-MED-841e0cf0-3
0.600
PET-UNK-bcc8fd08-4
0.598
PET-UNK-757f8bc8-4
0.596
MAT-POS-64942dd0-4
0.596
PET-UNK-757f8bc8-2
0.594
PET-UNK-757f8bc8-1
0.589
PET-UNK-0d6841fa-1
0.587
MAT-POS-83a7b0a0-2
0.583
EDJ-MED-b1cef252-2
0.583
PET-UNK-6da3dcd8-8
0.583
MAT-POS-89bd6af1-2
0.583
PET-UNK-c65ea24c-1
0.577
PET-UNK-f4e47ebd-25
0.574
PET-UNK-f4e47ebd-24
0.574
FRA-DIA-6238d354-1
0.573
EDJ-MED-923a35c2-1
0.573
PET-UNK-6da3dcd8-5
0.569
PET-UNK-03fd2068-9
0.567
PET-UNK-9bf1291a-3
0.566
MIC-UNK-ea4eb352-7
0.561
EDJ-MED-4f704dc9-1
0.561
PET-UNK-f4e47ebd-30
0.561
PET-UNK-f4e47ebd-31
0.557
PET-UNK-9bf1291a-5
0.553
MAT-POS-89bd6af1-4
0.549
EDJ-MED-b1cef252-1
0.549
MAT-POS-83a7b0a0-1
0.549
PET-UNK-b38839dc-22
0.547
PET-UNK-b38839dc-23
0.547
PET-UNK-6da3dcd8-2
0.540
EDJ-MED-670ad2ee-12
0.539
EDJ-MED-841e0cf0-8
0.539
EDJ-MED-670ad2ee-11
0.539
PET-UNK-9b23ef84-5
0.536
PET-UNK-9b23ef84-13
0.536
PET-UNK-9b23ef84-9
0.536
MIC-UNK-6e9f8a43-1
0.534
JOH-UNI-e398da21-2
0.534
PET-UNK-6da3dcd8-1
0.534
PET-UNK-f4e47ebd-26
0.533
EDJ-MED-37aac4bd-1
0.530
MIC-UNK-ea4eb352-8
0.530
MAT-POS-78e1d523-3
0.530
EDJ-MED-d08626de-3
0.530
MAT-POS-78e1d523-4
0.530
EDJ-MED-d08626de-4
0.530
EDJ-MED-d08626de-5
0.530
PET-UNK-f4e47ebd-27
0.528
PET-UNK-ad758083-2
0.527
MIC-UNK-ea4eb352-5
0.525
PET-UNK-1abb40f2-2
0.524
PET-UNK-1abb40f2-4
0.524
EDJ-MED-e9a22d5d-2
0.518
PET-UNK-1b92fa34-7
0.514
PET-UNK-9b23ef84-4
0.509
PET-UNK-9b23ef84-12
0.509
PET-UNK-9b23ef84-8
0.509
PET-UNK-1b92fa34-5
0.505
PET-UNK-c65ea24c-3
0.505
PET-UNK-c65ea24c-6
0.505
VLA-UNK-8e76d113-4
0.505
PET-UNK-0d6841fa-2
0.504
PET-UNK-c761fc18-6
0.500
PET-UNK-c65ea24c-5
0.500
MIC-UNK-54748b58-2
0.500
PET-UNK-5ad1c31a-3
0.495
PET-UNK-5ad1c31a-4
0.495
PET-UNK-5ad1c31a-9
0.495
PET-UNK-5ad1c31a-10
0.495
PET-UNK-b38839dc-21
0.495
PET-UNK-c65ea24c-2
0.495
MIC-UNK-ea4eb352-11
0.495
ALP-POS-fe871b40-12
0.495
NIR-THE-3fc2bec4-1
0.495
VLA-UNK-a5257d84-1
0.495
PET-UNK-022eab87-2
0.495
MAR-UCB-6ab2ec87-3
0.495
EDJ-MED-2f867453-2
0.495