Molecular Properties | |
SMILES: | COC1(C(=O)Nc2cncc3ccc(S(C)(=O)=O)cc23)CCOc2c(F)cc(Cl)cc21 |
MW: | 464.06 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 94.59 |
cLogP: | 3.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-a7639856-3
PET-UNK-a7639856-1
PET-UNK-7f7e354d-7
RAL-THA-05e671eb-17
JIN-POS-6dc588a4-22
RUB-POS-1325a9ea-12
EDJ-MED-37aac4bd-4
EDG-MED-10fcb19e-1
PET-UNK-a7639856-2
PET-UNK-f4e47ebd-2
PET-UNK-d899bab6-2
PET-UNK-b38839dc-1
RAL-THA-2d450e86-14
RUB-POS-1325a9ea-14
MAT-POS-96f51285-2
PET-UNK-f4e47ebd-1
JIN-POS-6dc588a4-11
PET-UNK-81b485b5-26
1.000
PET-UNK-81b485b5-9
0.765
PET-UNK-81b485b5-23
0.765
PET-UNK-81b485b5-11
0.750
PET-UNK-81b485b5-25
0.750
PET-UNK-81b485b5-15
0.734
PET-UNK-81b485b5-1
0.734
PET-UNK-81b485b5-10
0.710
PET-UNK-81b485b5-24
0.710
MAT-POS-96f51285-2
0.684
EDJ-MED-611d11e7-1
0.684
PET-UNK-81b485b5-21
0.677
PET-UNK-81b485b5-7
0.677
PET-UNK-81b485b5-6
0.667
PET-UNK-81b485b5-20
0.667
PET-UNK-81b485b5-8
0.663
EDJ-MED-93390d0c-4
0.663
PET-UNK-81b485b5-22
0.663
PET-UNK-81b485b5-27
0.663
PET-UNK-81b485b5-13
0.663
PET-UNK-81b485b5-5
0.663
PET-UNK-81b485b5-19
0.663
PET-UNK-81b485b5-14
0.637
PET-UNK-81b485b5-28
0.637
PET-UNK-81b485b5-18
0.624
PET-UNK-81b485b5-4
0.624
PET-UNK-81b485b5-3
0.602
PET-UNK-81b485b5-17
0.602
ALF-EVA-82cf4849-8
0.600
PET-UNK-81b485b5-2
0.598
PET-UNK-81b485b5-16
0.598
EDJ-MED-946e547c-1
0.594
EDG-MED-10fcb19e-3
0.594
PET-UNK-b566c0b0-2
0.590
MAT-POS-932d1078-2
0.578
EDJ-MED-37aac4bd-4
0.578
MAT-POS-932d1078-3
0.578
EDJ-MED-611d11e7-4
0.548
MAT-POS-ec6d90b7-4
0.548
MAT-POS-a5ef2d74-2
0.548
ALP-POS-fe871b40-3
0.542
EDJ-MED-923a35c2-1
0.541
FRA-DIA-6238d354-1
0.541
EDG-MED-10fcb19e-1
0.523
PET-UNK-a7639856-1
0.523
EDJ-MED-923a35c2-2
0.522
EDJ-MED-93390d0c-3
0.518
EDJ-MED-ce467fd5-3
0.517
PET-UNK-a7639856-2
0.514
PET-UNK-03fd2068-7
0.509
ALF-EVA-82cf4849-11
0.509
PET-UNK-ee8352fa-1
0.505
EDJ-MED-611d11e7-7
0.505
MAT-POS-96f51285-1
0.505
MAT-POS-24589f88-1
0.505
ALP-POS-93b3621f-3
0.505
PET-UNK-29afea89-2
0.495
EDJ-MED-d08626de-2
0.495
EDG-MED-0e5afe9d-3
0.495
EDJ-MED-d08626de-1
0.495
ALF-EVA-82cf4849-4
0.486
EDJ-MED-6bf93aa8-1
0.482
ALP-POS-fe871b40-11
0.482
MAT-POS-993cdc78-1
0.482
MAT-POS-993cdc78-2
0.482
ALP-POS-fe871b40-7
0.481
EDJ-MED-37aac4bd-5
0.481
PET-UNK-c0891748-7
0.481
PET-UNK-c0891748-1
0.481
PET-UNK-a7639856-3
0.479
ALF-EVA-82cf4849-13
0.478
EDG-MED-10fcb19e-5
0.474
PET-UNK-b38839dc-19
0.473
MAT-POS-78e1d523-3
0.472
EDJ-MED-d08626de-3
0.472
MAT-POS-78e1d523-4
0.472
EDJ-MED-d08626de-4
0.472
EDJ-MED-d08626de-5
0.472
EDJ-MED-37aac4bd-1
0.472
MIC-UNK-7f86385f-4
0.471
ALF-EVA-82cf4849-12
0.470
EDG-MED-10fcb19e-2
0.470
PET-UNK-ee8352fa-2
0.469
EDJ-MED-611d11e7-3
0.468
EDJ-MED-841e0cf0-4
0.468
MAT-POS-96f51285-4
0.468
EDJ-MED-670ad2ee-4
0.468
MIC-UNK-7f86385f-5
0.467
MIC-UNK-7f86385f-1
0.466
EDJ-MED-1b46f08e-1
0.466
ALP-POS-6f6ae286-3
0.464
PET-UNK-5d7c542f-1
0.464
EDJ-MED-611d11e7-10
0.464
MAT-POS-a5ef2d74-3
0.464
PET-UNK-f4e47ebd-17
0.464
MAT-POS-edabd372-2
0.460
PET-UNK-1b92fa34-6
0.459
MIC-UNK-7f86385f-2
0.458
PET-UNK-4b4f2bb7-6
0.455
EDJ-MED-923a35c2-3
0.452