Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)NC2=CS(=O)(=O)c3cc(C)ccc32)CCOc2ccc(Cl)cc21 |
MW: | 419.06 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 81.7 |
cLogP: | 3.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-29afea89-2
MAR-UCB-fd2e172f-42
0.762
ALP-POS-5de921e7-3
0.527
ALP-POS-5de921e7-5
0.521
ALP-POS-5de921e7-4
0.516
MAR-UCB-fd2e172f-9
0.515
ALP-POS-5de921e7-6
0.511
ALP-POS-5de921e7-1
0.505
MAR-UCB-fd2e172f-41
0.500
MAR-UCB-fd2e172f-32
0.500
PET-UNK-b38839dc-18
0.500
PET-UNK-0df12184-5
0.495
MAR-UCB-fd2e172f-25
0.495
MAR-UCB-fd2e172f-24
0.495
MAR-UCB-fd2e172f-21
0.490
MAR-UCB-fd2e172f-39
0.485
MAR-UCB-fd2e172f-40
0.485
MAR-UCB-fd2e172f-37
0.485
MAR-UCB-fd2e172f-16
0.480
EDJ-MED-ee742daa-1
0.480
MAR-UCB-fd2e172f-19
0.480
MAR-UCB-fd2e172f-8
0.475
MAR-UCB-fd2e172f-1
0.475
PET-UNK-0df12184-1
0.475
MAR-UCB-fd2e172f-2
0.475
MAR-UCB-fd2e172f-17
0.475
MAR-UCB-fd2e172f-33
0.475
MAR-UCB-fd2e172f-4
0.471
MAR-UCB-fd2e172f-29
0.471
MAR-UCB-fd2e172f-34
0.471
EDJ-MED-d2def222-1
0.471
MAR-UCB-fd2e172f-20
0.471
JOH-UNI-6e27fddc-1
0.471
MAR-UCB-fd2e172f-31
0.471
PET-UNK-0df12184-2
0.470
MAR-UCB-fd2e172f-5
0.466
MAR-UCB-fd2e172f-38
0.466
JOH-UNI-99d163e5-6
0.466
PET-UNK-c761fc18-5
0.465
JOH-UNI-99d163e5-2
0.465
PET-UNK-0df12184-4
0.465
PET-UNK-29afea89-2
0.465
EDJ-MED-d08626de-2
0.465
MAR-UCB-fd2e172f-22
0.465
MAR-UCB-fd2e172f-23
0.465
EDG-MED-0e5afe9d-3
0.465
EDJ-MED-d08626de-1
0.465
ALP-POS-e6e0c683-2
0.465
MAR-UCB-fd2e172f-30
0.462
PET-UNK-ee8352fa-1
0.462
MAR-UCB-fd2e172f-3
0.462
MAR-UCB-fd2e172f-6
0.462
PET-UNK-f4e47ebd-19
0.462
MAR-UCB-fd2e172f-26
0.462
PET-UNK-0df12184-3
0.461
EDJ-MED-611d11e7-10
0.461
MAR-UCB-fd2e172f-27
0.461
EDJ-MED-611d11e7-4
0.461
PET-UNK-f4e47ebd-17
0.461
MAT-POS-a5ef2d74-2
0.461
MAT-POS-a5ef2d74-3
0.461
MAT-POS-ec6d90b7-4
0.461
ALP-POS-e6e0c683-1
0.461
MAR-UCB-fd2e172f-7
0.458
MAR-UCB-fd2e172f-12
0.457
PET-UNK-f4e47ebd-18
0.457
EDJ-MED-611d11e7-1
0.457
MAR-UCB-fd2e172f-15
0.457
MAT-POS-96f51285-2
0.457
MAR-UCB-fd2e172f-10
0.456
MAR-UCB-fd2e172f-36
0.456
PET-UNK-c761fc18-1
0.456
MAR-UCB-fd2e172f-14
0.456
EDJ-MED-d2def222-2
0.456
PET-UNK-ee8352fa-3
0.453
JOH-UNI-99d163e5-4
0.452
MAR-UCB-fd2e172f-35
0.452
MAT-POS-24589f88-1
0.448
ALP-POS-6f6ae286-3
0.448
PET-UNK-5d7c542f-1
0.448
MAT-POS-96f51285-1
0.448
EDJ-MED-611d11e7-7
0.448
MAR-UCB-fd2e172f-13
0.443
MAR-UCB-fd2e172f-18
0.443
MAR-UCB-fd2e172f-43
0.443
PET-UNK-b38839dc-19
0.443
PET-UNK-b38839dc-20
0.443
JOH-UNI-99d163e5-8
0.443
ALP-POS-5de921e7-2
0.439
MAR-UCB-fd2e172f-28
0.439
PET-UNK-5d7c542f-2
0.439
PET-UNK-ee8352fa-2
0.439
ALP-POS-93b3621f-4
0.435
ALP-POS-93b3621f-3
0.435
ALF-EVA-82cf4849-8
0.431
PET-UNK-a7639856-2
0.431
MIC-UNK-7f86385f-2
0.429
EDG-MED-10fcb19e-2
0.427
PET-UNK-a7639856-1
0.427
ALF-EVA-82cf4849-11
0.427
EDG-MED-10fcb19e-1
0.427