Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3ccc(F)cc23)CN(S(C)(=O)=O)Cc2cc(F)c(Cl)cc21 |
MW: | 481.07 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 88.6 |
cLogP: | 3.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-923a35c2-2
0.819
EDJ-MED-841e0cf0-2
0.806
EDJ-MED-670ad2ee-2
0.806
MIC-UNK-ea4eb352-10
0.806
EDJ-MED-923a35c2-5
0.774
EDJ-MED-841e0cf0-3
0.774
EDJ-MED-670ad2ee-3
0.774
PET-UNK-03fd2068-11
0.771
PET-UNK-f4e47ebd-29
0.768
PET-UNK-f4e47ebd-28
0.732
EDJ-MED-923a35c2-4
0.726
PET-UNK-f4e47ebd-30
0.720
PET-UNK-f4e47ebd-31
0.700
EDJ-MED-841e0cf0-1
0.646
MIC-UNK-ea4eb352-6
0.646
EDJ-MED-670ad2ee-1
0.646
PET-UNK-b566c0b0-8
0.641
PET-UNK-bcc8fd08-5
0.625
PET-UNK-1b92fa34-8
0.624
EDJ-MED-923a35c2-1
0.621
FRA-DIA-6238d354-1
0.621
PET-UNK-9bf1291a-1
0.614
MIC-UNK-ea4eb352-2
0.614
ALP-POS-5290f14d-1
0.614
EDJ-MED-841e0cf0-8
0.604
EDJ-MED-670ad2ee-12
0.604
PET-UNK-9bf1291a-2
0.604
EDJ-MED-670ad2ee-11
0.604
PET-UNK-03fd2068-9
0.600
PET-UNK-9b23ef84-1
0.592
EDJ-MED-923a35c2-3
0.581
PET-UNK-b38839dc-22
0.579
PET-UNK-f4e47ebd-25
0.577
PET-UNK-9bf1291a-4
0.570
MAT-POS-64942dd0-4
0.567
PET-UNK-b38839dc-23
0.565
PET-UNK-f4e47ebd-26
0.550
PET-UNK-c65ea24c-1
0.550
PET-UNK-f4e47ebd-24
0.547
PET-UNK-03fd2068-7
0.543
PET-UNK-1b92fa34-6
0.533
PET-UNK-03fd2068-5
0.533
MAT-POS-64942dd0-2
0.533
PET-UNK-f4e47ebd-27
0.532
PET-UNK-9b23ef84-9
0.526
PET-UNK-9b23ef84-5
0.526
PET-UNK-9b23ef84-13
0.526
PET-UNK-b78139fa-16
0.524
PET-UNK-c65ea24c-3
0.523
MAT-POS-ec6d90b7-4
0.509
EDJ-MED-611d11e7-4
0.509
MAT-POS-a5ef2d74-2
0.509
PET-UNK-c65ea24c-6
0.509
PET-UNK-03fd2068-3
0.505
EDJ-MED-cf877e1d-2
0.505
PET-UNK-88d26eaf-1
0.505
PET-UNK-757f8bc8-3
0.504
PET-UNK-c65ea24c-2
0.500
PET-UNK-bcc8fd08-4
0.500
PET-UNK-b38839dc-21
0.500
PET-UNK-b566c0b0-9
0.496
PET-UNK-ad758083-1
0.496
PET-UNK-c65ea24c-5
0.491
PET-UNK-c761fc18-6
0.491
PET-UNK-1b92fa34-7
0.491
PET-UNK-757f8bc8-4
0.487
PET-UNK-4b4f2bb7-6
0.486
PET-UNK-bcc8fd08-6
0.483
PET-UNK-b38839dc-25
0.483
PET-UNK-c65ea24c-4
0.482
PET-UNK-c761fc18-2
0.482
EDJ-MED-b1cef252-2
0.479
MAT-POS-83a7b0a0-2
0.479
MAT-POS-89bd6af1-2
0.479
PET-UNK-6da3dcd8-5
0.479
PET-UNK-6da3dcd8-8
0.479
PET-UNK-0d6841fa-1
0.478
PET-UNK-757f8bc8-2
0.475
EDJ-MED-841e0cf0-4
0.473
EDJ-MED-1b5395f9-4
0.473
EDJ-MED-1b5395f9-5
0.473
EDJ-MED-670ad2ee-4
0.473
EDJ-MED-1b5395f9-6
0.473
PET-UNK-6da3dcd8-18
0.472
PET-UNK-757f8bc8-1
0.471
PET-UNK-9bf1291a-3
0.468
BEN-DND-a02b439d-12
0.468
PET-UNK-b38839dc-26
0.466
EDJ-MED-93390d0c-4
0.465
PET-UNK-6da3dcd8-15
0.463
EDJ-MED-946e547c-1
0.461
MAT-POS-81ae2990-6
0.455
PET-UNK-c65ea24c-7
0.454
PET-UNK-b566c0b0-7
0.453
EDJ-MED-670ad2ee-9
0.451
EDJ-MED-841e0cf0-7
0.451
EDJ-MED-670ad2ee-10
0.451
EDJ-MED-670ad2ee-7
0.447
PET-UNK-9bf1291a-5
0.447
EDJ-MED-670ad2ee-8
0.447