Molecular Properties | |
SMILES: | COC(C)(C)CS(=O)(=O)N1Cc2ccc(Cl)cc2[C@](C)(C(=O)Nc2cncc3ccccc23)C1 |
MW: | 501.15 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 88.6 |
cLogP: | 4.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-757f8bc8-5
0.804
PET-UNK-757f8bc8-7
0.765
PET-UNK-757f8bc8-8
0.745
EDJ-MED-82bd779b-1
0.743
PET-UNK-757f8bc8-2
0.728
PET-UNK-757f8bc8-10
0.714
MAT-POS-89bd6af1-1
0.702
ALP-POS-c56c1477-4
0.702
PET-UNK-757f8bc8-1
0.613
MAT-POS-89bd6af1-3
0.608
MAT-UNK-28cf4d29-1
0.608
ALP-POS-e266d783-2
0.608
MAT-POS-64942dd0-4
0.590
PET-UNK-757f8bc8-9
0.584
PET-UNK-757f8bc8-3
0.582
EDJ-MED-76744c27-7
0.566
EDJ-MED-76744c27-2
0.566
PET-UNK-757f8bc8-4
0.562
PET-UNK-757f8bc8-11
0.561
PET-UNK-9bf1291a-1
0.561
MIC-UNK-ea4eb352-2
0.561
ALP-POS-5290f14d-1
0.561
PET-UNK-6da3dcd8-2
0.552
EDJ-MED-841e0cf0-4
0.551
EDJ-MED-670ad2ee-4
0.551
PET-UNK-ad758083-1
0.545
PET-UNK-6da3dcd8-8
0.538
MAT-POS-83a7b0a0-2
0.538
EDJ-MED-b1cef252-2
0.538
MAT-POS-89bd6af1-2
0.538
PET-UNK-bcc8fd08-4
0.536
PET-UNK-757f8bc8-12
0.535
MIC-UNK-6e9f8a43-1
0.532
PET-UNK-6da3dcd8-1
0.532
JOH-UNI-e398da21-2
0.532
EDJ-MED-cf877e1d-2
0.527
PET-UNK-88d26eaf-1
0.527
PET-UNK-0d6841fa-1
0.526
PET-UNK-9bf1291a-3
0.519
MAT-POS-83f73d0a-3
0.514
PET-UNK-6da3dcd8-4
0.514
MAT-POS-c88128cb-4
0.513
PET-UNK-6da3dcd8-10
0.513
PET-UNK-ad758083-2
0.513
MAT-POS-83f73d0a-4
0.505
MAT-POS-83a7b0a0-1
0.505
EDJ-MED-b1cef252-1
0.505
MAT-POS-89bd6af1-4
0.505
PET-UNK-6da3dcd8-3
0.504
EDJ-MED-e9a22d5d-2
0.504
PET-UNK-6da3dcd8-9
0.504
LUO-POS-e3baa4d7-1
0.500
MAT-POS-c88128cb-7
0.500
LUO-POS-868e8996-6
0.500
EDJ-MED-43f8f7d6-5
0.500
ALP-POS-e266d783-1
0.500
MAT-POS-853c0ffa-2
0.500
MAT-POS-c88128cb-3
0.500
LUO-POS-868e8996-5
0.500
LUO-POS-3b937086-1
0.496
MAT-POS-c88128cb-8
0.496
RAL-THA-a9c31980-7
0.496
MAT-POS-c88128cb-5
0.496
LUO-POS-66f38ea0-1
0.496
PET-UNK-9bf1291a-5
0.496
PET-UNK-0d6841fa-2
0.492
MAT-POS-e119ab4f-5
0.491
MIK-ENA-f5fe7855-1
0.491
MIK-ENA-e76e31f3-1
0.491
LUO-POS-868e8996-2
0.491
MIK-ENA-d22671f7-1
0.491
LUO-POS-868e8996-1
0.491
EDJ-MED-2f867453-1
0.491
PET-UNK-6da3dcd8-5
0.488
MAT-POS-c88128cb-6
0.487
MAT-POS-8e4737f4-1
0.486
DAR-DIA-6a508060-10
0.486
BEN-DND-a7517465-4
0.486
EDJ-MED-e4b030d8-13
0.486
PET-UNK-5ad1c31a-5
0.483
EDJ-MED-841e0cf0-2
0.483
EDJ-MED-670ad2ee-2
0.483
MIC-UNK-ea4eb352-10
0.483
PET-UNK-5ad1c31a-6
0.483
PET-UNK-5ad1c31a-11
0.483
PET-UNK-5ad1c31a-12
0.483
EDJ-MED-670ad2ee-1
0.478
EDJ-MED-841e0cf0-1
0.478
MIC-UNK-ea4eb352-6
0.478
MAT-POS-fb82b63d-2
0.477
MAT-POS-c88128cb-10
0.475
EDJ-MED-923a35c2-4
0.474
RAL-THA-176e263b-4
0.473
MAT-POS-22e8b45a-2
0.473
LUO-POS-433ce175-1
0.472
PET-UNK-9b23ef84-12
0.471
EDJ-MED-7f6e5b75-1
0.470
MAT-POS-2e8b2191-5
0.468
MAT-POS-bf364d7a-5
0.467
MAT-POS-5cd9ea36-1
0.467