Molecular Properties | |
SMILES: | COc1cc2cncc(NC(=O)[C@]3(OC)CS(=O)(=O)Cc4ccc(Cl)cc43)c2cn1 |
MW: | 447.07 |
Fraction sp3: | 0.25 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 107.48 |
cLogP: | 2.7 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
PET-UNK-b566c0b0-3
0.758
PET-UNK-b566c0b0-1
0.710
PET-UNK-b566c0b0-6
0.696
PET-UNK-b566c0b0-5
0.685
PET-UNK-b78139fa-12
0.685
PET-UNK-1b92fa34-5
0.685
PET-UNK-1b92fa34-6
0.677
PET-UNK-329a9ce9-7
0.650
PET-UNK-f4e47ebd-19
0.646
PET-UNK-b566c0b0-2
0.643
PET-UNK-f4e47ebd-27
0.636
PET-UNK-329a9ce9-8
0.625
PET-UNK-329a9ce9-5
0.624
PET-UNK-329a9ce9-6
0.618
PET-UNK-c761fc18-8
0.608
PET-UNK-4b4f2bb7-3
0.600
PET-UNK-c761fc18-4
0.596
PET-UNK-81b485b5-14
0.578
PET-UNK-81b485b5-28
0.578
PET-UNK-1e13ef09-4
0.544
PET-UNK-0d6841fa-7
0.528
PET-UNK-f4e47ebd-31
0.528
PET-UNK-f4e47ebd-22
0.524
PET-UNK-1b92fa34-8
0.514
PET-UNK-0d6841fa-6
0.505
PET-UNK-b78139fa-11
0.500
PET-UNK-1b92fa34-7
0.500
PET-UNK-f4e47ebd-26
0.477
PET-UNK-2c6614b6-3
0.477
PET-UNK-f4e47ebd-18
0.472
PET-UNK-b78139fa-3
0.472
PET-UNK-f4e47ebd-12
0.468
PET-UNK-f4e47ebd-4
0.467
PET-UNK-407a74a5-17
0.462
PET-UNK-b78139fa-14
0.462
PET-UNK-b78139fa-15
0.457
PET-UNK-f4e47ebd-2
0.455
PET-UNK-b78139fa-17
0.448
PET-UNK-03fd2068-9
0.442
PET-UNK-f4e47ebd-8
0.441
PET-UNK-b38839dc-22
0.439
PET-UNK-b38839dc-23
0.439
PET-UNK-c65ea24c-1
0.439
PET-UNK-b78139fa-18
0.438
PET-UNK-022eab87-2
0.438
PET-UNK-4b4f2bb7-2
0.438
PET-UNK-5d7c542f-1
0.436
ALP-POS-6f6ae286-3
0.436
PET-UNK-407a74a5-7
0.434
PET-UNK-b78139fa-16
0.434
PET-UNK-b38839dc-19
0.432
PET-UNK-b38839dc-20
0.432
PET-UNK-407a74a5-12
0.432
PET-UNK-f4e47ebd-25
0.432
PET-UNK-c0891748-3
0.431
PET-UNK-c0891748-9
0.431
PET-UNK-5d7c542f-2
0.429
PET-UNK-f9b7ae87-6
0.425
PET-UNK-9bf1291a-1
0.423
MIC-UNK-ea4eb352-2
0.423
ALP-POS-5290f14d-1
0.423
EDJ-MED-611d11e7-10
0.422
PET-UNK-f4e47ebd-17
0.422
MAT-POS-a5ef2d74-3
0.422
PET-UNK-81b485b5-27
0.421
PET-UNK-c65ea24c-13
0.421
PET-UNK-81b485b5-13
0.421
PET-UNK-f4e47ebd-24
0.420
PET-UNK-6e612674-10
0.417
PET-UNK-6e612674-2
0.417
EDJ-MED-923a35c2-5
0.416
PET-UNK-ee8352fa-3
0.416
PET-UNK-ee8352fa-2
0.416
EDJ-MED-841e0cf0-3
0.416
EDJ-MED-670ad2ee-3
0.416
PET-UNK-b38839dc-25
0.415
PET-UNK-b566c0b0-9
0.415
PET-UNK-407a74a5-2
0.413
MAR-UCB-fd2e172f-24
0.413
EDJ-MED-d08626de-1
0.413
PET-UNK-29afea89-2
0.413
EDG-MED-0e5afe9d-3
0.413
PET-UNK-0df12184-5
0.413
EDJ-MED-d08626de-2
0.413
ALP-POS-93b3621f-4
0.412
PET-UNK-b38839dc-26
0.412
PET-UNK-c65ea24c-7
0.412
EDJ-MED-611d11e7-7
0.411
PET-UNK-ee8352fa-1
0.411
MAT-POS-24589f88-1
0.411
PET-UNK-c65ea24c-6
0.411
MAT-POS-96f51285-1
0.411
PET-UNK-6e612674-6
0.409
PET-UNK-6e612674-14
0.409
MAT-POS-a5ef2d74-2
0.409
EDJ-MED-611d11e7-4
0.409
PET-UNK-9bf1291a-3
0.409
MAT-POS-ec6d90b7-4
0.409
PET-UNK-0df12184-1
0.409
EDJ-MED-923a35c2-1
0.409