Molecular Properties | |
SMILES: | [2H]C([2H])([2H])O[C@@]1(C(=O)Nc2cncc3ccc(F)cc23)CN(S(C)(=O)=O)Cc2ccc(Cl)cc21 |
MW: | 466.1 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 88.6 |
cLogP: | 3.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter34_isotope
deuterium
Hetero_hetero
Isotopes
PET-UNK-bcc8fd08-4
0.817
EDJ-MED-923a35c2-5
0.785
EDJ-MED-841e0cf0-3
0.785
EDJ-MED-670ad2ee-3
0.785
PET-UNK-bcc8fd08-6
0.784
PET-UNK-b566c0b0-8
0.650
FRA-DIA-6238d354-1
0.631
EDJ-MED-923a35c2-1
0.631
PET-UNK-03fd2068-10
0.625
PET-UNK-9bf1291a-1
0.624
MIC-UNK-ea4eb352-2
0.624
ALP-POS-5290f14d-1
0.624
PET-UNK-03fd2068-9
0.610
PET-UNK-9bf1291a-2
0.598
PET-UNK-b38839dc-22
0.589
PET-UNK-ad758083-1
0.589
PET-UNK-f4e47ebd-25
0.587
PET-UNK-0d6841fa-1
0.583
EDJ-MED-923a35c2-4
0.571
PET-UNK-9bf1291a-4
0.565
PET-UNK-bcc8fd08-2
0.562
PET-UNK-b38839dc-23
0.560
PET-UNK-f4e47ebd-26
0.560
PET-UNK-c65ea24c-1
0.560
PET-UNK-f4e47ebd-24
0.557
PET-UNK-1b92fa34-6
0.543
PET-UNK-f4e47ebd-27
0.541
EDJ-MED-670ad2ee-12
0.538
EDJ-MED-670ad2ee-11
0.538
EDJ-MED-841e0cf0-8
0.538
PET-UNK-c65ea24c-3
0.533
PET-UNK-03fd2068-3
0.528
PET-UNK-6da3dcd8-2
0.524
EDJ-MED-670ad2ee-4
0.523
EDJ-MED-841e0cf0-4
0.523
PET-UNK-c65ea24c-6
0.519
EDJ-MED-cf877e1d-2
0.514
PET-UNK-88d26eaf-1
0.514
PET-UNK-b38839dc-21
0.509
PET-UNK-c65ea24c-2
0.509
EDJ-MED-841e0cf0-2
0.509
EDJ-MED-670ad2ee-2
0.509
MIC-UNK-ea4eb352-10
0.509
EDJ-MED-923a35c2-2
0.509
PET-UNK-b78139fa-16
0.505
JOH-UNI-e398da21-2
0.505
MIC-UNK-6e9f8a43-1
0.505
PET-UNK-6da3dcd8-12
0.505
PET-UNK-c761fc18-2
0.505
PET-UNK-b566c0b0-9
0.504
PET-UNK-ad758083-2
0.500
PET-UNK-6da3dcd8-8
0.500
MAT-POS-83a7b0a0-2
0.500
PET-UNK-c761fc18-6
0.500
PET-UNK-c65ea24c-5
0.500
EDJ-MED-b1cef252-2
0.500
PET-UNK-757f8bc8-3
0.500
MAT-POS-89bd6af1-2
0.500
PET-UNK-757f8bc8-2
0.496
PET-UNK-757f8bc8-4
0.496
PET-UNK-6da3dcd8-18
0.492
PET-UNK-0d6841fa-2
0.492
PET-UNK-757f8bc8-1
0.492
PET-UNK-b38839dc-25
0.491
EDJ-MED-e9a22d5d-2
0.491
PET-UNK-c65ea24c-4
0.491
PET-UNK-6da3dcd8-1
0.491
MAT-POS-a5ef2d74-2
0.491
EDJ-MED-611d11e7-4
0.491
MAT-POS-ec6d90b7-4
0.491
PET-UNK-6da3dcd8-5
0.487
PET-UNK-6da3dcd8-11
0.482
EDJ-MED-670ad2ee-1
0.477
EDJ-MED-841e0cf0-1
0.477
MIC-UNK-ea4eb352-6
0.477
PET-UNK-03fd2068-11
0.474
EDJ-MED-670ad2ee-9
0.473
EDJ-MED-841e0cf0-7
0.473
PET-UNK-03fd2068-5
0.473
MAT-POS-64942dd0-2
0.473
EDJ-MED-670ad2ee-10
0.473
PET-UNK-1b92fa34-8
0.473
PET-UNK-6da3dcd8-15
0.472
PET-UNK-f4e47ebd-29
0.470
EDJ-MED-670ad2ee-7
0.469
EDJ-MED-670ad2ee-8
0.469
EDJ-MED-841e0cf0-6
0.469
PET-UNK-4b4f2bb7-6
0.468
PET-UNK-9bf1291a-3
0.464
MAT-POS-81ae2990-6
0.463
MAT-POS-81ae2990-3
0.462
PET-UNK-b38839dc-26
0.462
PET-UNK-c65ea24c-7
0.462
EDJ-MED-841e0cf0-5
0.460
EDJ-MED-670ad2ee-5
0.460
EDJ-MED-670ad2ee-6
0.460
EDJ-MED-1b5395f9-6
0.455
EDJ-MED-1b5395f9-4
0.455
EDJ-MED-1b5395f9-5
0.455
PET-UNK-329a9ce9-5
0.453