Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3ccc(F)cc23)CN(S(=O)(=O)N(C)C)Cc2ccc(Cl)cc21 |
MW: | 492.1 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 91.84 |
cLogP: | 3.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-cf877e1d-2
0.806
PET-UNK-88d26eaf-1
0.806
EDJ-MED-841e0cf0-3
0.804
EDJ-MED-670ad2ee-3
0.804
EDJ-MED-923a35c2-5
0.804
PET-UNK-b566c0b0-9
0.784
PET-UNK-b38839dc-25
0.765
PET-UNK-c65ea24c-7
0.723
PET-UNK-b38839dc-26
0.723
PET-UNK-9bf1291a-2
0.698
PET-UNK-c65ea24c-9
0.697
PET-UNK-c65ea24c-12
0.680
PET-UNK-9bf1291a-4
0.673
PET-UNK-b38839dc-24
0.667
PET-UNK-c65ea24c-8
0.660
PET-UNK-bcc8fd08-5
0.650
PET-UNK-c65ea24c-11
0.650
FRA-DIA-6238d354-1
0.647
EDJ-MED-923a35c2-1
0.647
PET-UNK-c65ea24c-10
0.644
PET-UNK-ad758083-2
0.642
PET-UNK-03fd2068-10
0.641
ALP-POS-5290f14d-1
0.640
PET-UNK-9bf1291a-1
0.640
MIC-UNK-ea4eb352-2
0.640
PET-UNK-03fd2068-9
0.625
PET-UNK-757f8bc8-4
0.623
PET-UNK-b38839dc-22
0.619
PET-UNK-0d6841fa-2
0.615
PET-UNK-f4e47ebd-25
0.602
PET-UNK-757f8bc8-3
0.598
PET-UNK-6da3dcd8-5
0.595
PET-UNK-1b92fa34-6
0.588
PET-UNK-b566c0b0-7
0.583
PET-UNK-757f8bc8-2
0.577
PET-UNK-b38839dc-23
0.574
PET-UNK-c65ea24c-1
0.574
PET-UNK-f4e47ebd-26
0.574
PET-UNK-6da3dcd8-15
0.574
PET-UNK-f4e47ebd-24
0.571
PET-UNK-757f8bc8-1
0.571
EDJ-MED-b1cef252-2
0.566
PET-UNK-6da3dcd8-8
0.566
MAT-POS-83a7b0a0-2
0.566
MAT-POS-89bd6af1-2
0.566
PET-UNK-6da3dcd8-4
0.557
PET-UNK-6da3dcd8-18
0.556
PET-UNK-f4e47ebd-27
0.556
PET-UNK-b78139fa-16
0.549
EDJ-MED-611d11e7-4
0.548
PET-UNK-9bf1291a-3
0.548
MAT-POS-a5ef2d74-2
0.548
MAT-POS-ec6d90b7-4
0.548
PET-UNK-c65ea24c-3
0.547
PET-UNK-c65ea24c-6
0.547
PET-UNK-6da3dcd8-3
0.546
EDJ-MED-670ad2ee-8
0.537
EDJ-MED-670ad2ee-7
0.537
EDJ-MED-841e0cf0-6
0.537
PET-UNK-9bf1291a-5
0.537
PET-UNK-6da3dcd8-14
0.536
PET-UNK-6da3dcd8-13
0.536
EDJ-MED-b1cef252-1
0.533
MAT-POS-83a7b0a0-1
0.533
MAT-POS-89bd6af1-4
0.533
PET-UNK-ad758083-1
0.532
EDJ-MED-e9a22d5d-2
0.531
EDJ-MED-923a35c2-4
0.528
PET-UNK-b38839dc-21
0.523
PET-UNK-c65ea24c-2
0.523
MIC-UNK-ea4eb352-10
0.523
EDJ-MED-841e0cf0-2
0.523
EDJ-MED-670ad2ee-2
0.523
PET-UNK-bcc8fd08-4
0.523
EDJ-MED-923a35c2-2
0.522
PET-UNK-c761fc18-6
0.514
PET-UNK-1b92fa34-8
0.514
PET-UNK-c65ea24c-5
0.514
PET-UNK-4b4f2bb7-6
0.509
PET-UNK-9b23ef84-4
0.509
PET-UNK-c65ea24c-4
0.505
PET-UNK-c761fc18-2
0.505
PET-UNK-bcc8fd08-6
0.504
PET-UNK-0d6841fa-1
0.500
PET-UNK-c65ea24c-13
0.500
PET-UNK-9b23ef84-8
0.496
PET-UNK-9b23ef84-12
0.496
EDJ-MED-670ad2ee-11
0.495
EDJ-MED-670ad2ee-12
0.495
PET-UNK-03fd2068-7
0.495
EDJ-MED-841e0cf0-8
0.495
EDJ-MED-841e0cf0-1
0.491
EDJ-MED-670ad2ee-1
0.491
MIC-UNK-ea4eb352-6
0.491
PET-UNK-329a9ce9-6
0.487
PET-UNK-03fd2068-11
0.487
PET-UNK-f4e47ebd-29
0.482
PET-UNK-329a9ce9-5
0.478
PET-UNK-b566c0b0-2
0.478
PET-UNK-bcc8fd08-2
0.477