Molecular Properties | |
SMILES: | COc1cc2c(NC(=O)[C@]3(OC)CNC(=O)c4ccc(Cl)cc43)cncc2cc1Cl |
MW: | 445.06 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 89.55 |
cLogP: | 3.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-ea4eb352-1
ALP-POS-f1807566-3
EDJ-MED-00c1612e-1
ADA-UCB-6c2cb422-1
PET-UNK-7f7e354d-7
MAT-POS-4223bc15-2
JIN-POS-6dc588a4-22
PET-UNK-88d26eaf-1
MAT-POS-24589f88-3
PET-UNK-29afea89-2
MAR-UCB-fd2e172f-41
PET-UNK-9bf1291a-1
MIC-UNK-91acba05-1
MAT-POS-b3e365b9-1
EDJ-MED-b7309adf-2
MIC-UNK-91acba05-3
JIN-POS-6dc588a4-11
PET-UNK-f9b7ae87-8
0.802
PET-UNK-b38839dc-28
0.802
PET-UNK-f9b7ae87-9
0.701
PET-UNK-fe31e24a-3
0.698
ALP-POS-f1807566-3
0.691
PET-UNK-f9b7ae87-6
0.691
PET-UNK-f9b7ae87-5
0.688
PET-UNK-fe31e24a-4
0.680
PET-UNK-f9b7ae87-7
0.677
PET-UNK-e9bc7c59-8
0.667
PET-UNK-e9bc7c59-9
0.648
PET-UNK-e9bc7c59-7
0.641
PET-UNK-f9b7ae87-3
0.622
PET-UNK-f9b7ae87-4
0.622
PET-UNK-b38839dc-27
0.622
PET-UNK-f9b7ae87-2
0.612
PET-UNK-f9b7ae87-1
0.588
PET-UNK-b38839dc-20
0.573
PET-UNK-ad758083-3
0.551
PET-UNK-b38839dc-23
0.546
PET-UNK-b38839dc-14
0.533
PET-UNK-b38839dc-26
0.527
PET-UNK-0d6841fa-3
0.518
PET-UNK-fe31e24a-7
0.455
PET-UNK-407a74a5-18
0.450
PET-UNK-fe31e24a-8
0.447
PET-UNK-b38839dc-19
0.446
MAT-POS-22e8b45a-2
0.444
RAL-THA-176e263b-4
0.444
PET-UNK-407a74a5-13
0.442
PET-UNK-b38839dc-2
0.441
PET-UNK-e9bc7c59-11
0.437
JOH-UNI-e398da21-1
0.436
PET-UNK-407a74a5-8
0.435
MAT-POS-edabd372-2
0.434
RAL-THA-176e263b-1
0.432
PET-UNK-407a74a5-3
0.432
MAT-POS-22e8b45a-3
0.432
PET-UNK-6e612674-2
0.431
PET-UNK-6e612674-10
0.431
PET-UNK-81b485b5-21
0.430
PET-UNK-81b485b5-7
0.430
PET-UNK-b38839dc-5
0.429
PET-UNK-b38839dc-22
0.427
PET-UNK-f360ae44-15
0.426
PET-UNK-f360ae44-7
0.426
PET-UNK-e9bc7c59-12
0.426
PET-UNK-b38839dc-8
0.426
PET-UNK-e9bc7c59-10
0.425
PET-UNK-1abb40f2-3
0.423
PET-UNK-1abb40f2-1
0.423
EDJ-MED-827e7cb4-6
0.422
PET-UNK-6e612674-9
0.421
PET-UNK-b38839dc-13
0.421
PET-UNK-6e612674-1
0.421
PET-UNK-7279c968-8
0.421
PET-UNK-b38839dc-17
0.421
PET-UNK-b78139fa-15
0.418
PET-UNK-b38839dc-25
0.417
PET-UNK-4d432d33-4
0.415
PET-UNK-4d432d33-7
0.415
PET-UNK-4d432d33-8
0.415
PET-UNK-4d432d33-3
0.415
PET-UNK-f360ae44-16
0.415
PET-UNK-f360ae44-8
0.415
EDJ-MED-015fb6b4-1
0.412
PET-UNK-b38839dc-11
0.412
MAT-POS-c7771779-2
0.411
MAT-POS-89e65850-1
0.411
EDJ-MED-ce467fd5-3
0.407
MIC-UNK-e8d6fb58-1
0.405
PET-UNK-f360ae44-6
0.403
PET-UNK-f360ae44-14
0.403
PET-UNK-6e612674-3
0.402
PET-UNK-6e612674-11
0.402
PET-UNK-f360ae44-5
0.400
PET-UNK-f360ae44-13
0.400
PET-UNK-b78139fa-18
0.400
MAT-POS-d8472c4f-3
0.398
MIC-UNK-ea4eb352-3
0.398
PET-UNK-b78139fa-12
0.398
PET-UNK-b78139fa-14
0.398
PET-UNK-f360ae44-2
0.397
PET-UNK-f360ae44-10
0.397
PET-UNK-b78139fa-16
0.396
PET-UNK-b78139fa-17
0.396
PET-UNK-6e612674-4
0.395
PET-UNK-6e612674-12
0.395
PET-UNK-b78139fa-11
0.395
PET-UNK-ee8352fa-2
0.393
PET-UNK-f360ae44-1
0.392
PET-UNK-f360ae44-9
0.392
PET-UNK-f360ae44-11
0.389
PET-UNK-f360ae44-12
0.389
PET-UNK-f360ae44-3
0.389
PET-UNK-f360ae44-4
0.389
EDG-MED-10fcb19e-5
0.388
PET-UNK-ad758083-4
0.388
PET-UNK-b566c0b0-4
0.388
PET-UNK-4b4f2bb7-7
0.388