Molecular Properties | |
SMILES: | COCCS(=O)(=O)N1Cc2ccc(Cl)cc2[C@](C)(C(=O)Nc2cncc3ccccc23)C1 |
MW: | 473.12 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 88.6 |
cLogP: | 3.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-757f8bc8-8
0.768
PET-UNK-757f8bc8-6
0.765
EDJ-MED-82bd779b-1
0.765
PET-UNK-757f8bc8-3
0.745
MAT-POS-89bd6af1-1
0.740
ALP-POS-c56c1477-4
0.740
PET-UNK-757f8bc8-5
0.737
PET-UNK-757f8bc8-11
0.716
MAT-POS-64942dd0-4
0.640
ALP-POS-e266d783-2
0.626
MAT-UNK-28cf4d29-1
0.626
MAT-POS-89bd6af1-3
0.626
PET-UNK-ad758083-1
0.619
MIC-UNK-ea4eb352-2
0.608
PET-UNK-9bf1291a-1
0.608
ALP-POS-5290f14d-1
0.608
PET-UNK-757f8bc8-4
0.607
EDJ-MED-b1cef252-2
0.595
PET-UNK-6da3dcd8-8
0.595
MAT-POS-83a7b0a0-2
0.595
MAT-POS-89bd6af1-2
0.595
PET-UNK-757f8bc8-2
0.591
PET-UNK-757f8bc8-1
0.586
PET-UNK-0d6841fa-1
0.583
PET-UNK-ad758083-2
0.582
PET-UNK-88d26eaf-1
0.570
EDJ-MED-cf877e1d-2
0.570
PET-UNK-6da3dcd8-2
0.569
EDJ-MED-841e0cf0-4
0.567
EDJ-MED-670ad2ee-4
0.567
PET-UNK-bcc8fd08-4
0.565
MAT-POS-4223bc15-4
0.564
PET-UNK-9bf1291a-3
0.563
MIC-UNK-6e9f8a43-1
0.562
JOH-UNI-e398da21-2
0.562
LUO-POS-e3baa4d7-1
0.555
MAT-POS-c88128cb-3
0.555
PET-UNK-757f8bc8-10
0.553
PET-UNK-757f8bc8-12
0.550
MAT-POS-89bd6af1-4
0.547
EDJ-MED-b1cef252-1
0.547
MAT-POS-83a7b0a0-1
0.547
PET-UNK-6da3dcd8-1
0.547
EDJ-MED-e9a22d5d-2
0.545
PET-UNK-0d6841fa-2
0.544
PET-UNK-6da3dcd8-10
0.540
PET-UNK-9bf1291a-5
0.537
PET-UNK-6da3dcd8-9
0.530
PET-UNK-757f8bc8-9
0.530
MAT-POS-83f73d0a-3
0.529
PET-UNK-6da3dcd8-4
0.528
EDJ-MED-036ae2e9-11
0.527
PET-UNK-6da3dcd8-5
0.526
MIC-UNK-ea4eb352-10
0.523
EDJ-MED-841e0cf0-2
0.523
EDJ-MED-670ad2ee-2
0.523
PET-UNK-9b23ef84-8
0.522
EDJ-MED-2f867453-1
0.520
MAT-POS-83f73d0a-4
0.519
PET-UNK-6da3dcd8-3
0.518
EDJ-MED-923a35c2-4
0.514
MAT-POS-c88128cb-4
0.514
PET-UNK-9b23ef84-12
0.509
PET-UNK-9b23ef84-4
0.509
MAT-POS-e119ab4f-5
0.505
LUO-POS-868e8996-1
0.505
MIK-ENA-f5fe7855-1
0.505
MIK-ENA-d22671f7-1
0.505
LUO-POS-868e8996-2
0.505
MIK-ENA-e76e31f3-1
0.505
EDJ-MED-e4b030d8-13
0.500
MAT-POS-8e4737f4-1
0.500
MAT-POS-853c0ffa-2
0.500
LUO-POS-868e8996-6
0.500
ALP-POS-e266d783-1
0.500
EDJ-MED-43f8f7d6-5
0.500
LUO-POS-868e8996-5
0.500
DAR-DIA-6a508060-10
0.500
PET-UNK-0d6841fa-7
0.500
BEN-DND-a7517465-4
0.500
LUO-POS-3b937086-1
0.496
MAT-POS-c88128cb-8
0.496
LUO-POS-66f38ea0-1
0.496
MAT-POS-c88128cb-5
0.496
PET-UNK-5ad1c31a-5
0.496
PET-UNK-5ad1c31a-6
0.496
PET-UNK-5ad1c31a-11
0.496
PET-UNK-5ad1c31a-12
0.496
PET-UNK-0d6841fa-6
0.491
EDJ-MED-841e0cf0-1
0.491
EDJ-MED-670ad2ee-1
0.491
MIC-UNK-ea4eb352-6
0.491
PET-UNK-1b92fa34-5
0.491
MAT-POS-fb82b63d-2
0.490
MAT-POS-c88128cb-7
0.487
MAT-POS-c88128cb-6
0.487
LUO-POS-433ce175-1
0.486
RAL-THA-a9c31980-7
0.483
PET-UNK-af70882d-4
0.482
EDJ-MED-923a35c2-5
0.482