Molecular Properties | |
SMILES: | COc1ccc2cncc(NC(=O)[C@]3(OC)CNC(=O)c4ccc(Cl)cc43)c2c1 |
MW: | 411.1 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 89.55 |
cLogP: | 3.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-fe31e24a-4
0.761
ALP-POS-f1807566-3
0.736
PET-UNK-e9bc7c59-7
0.714
PET-UNK-f9b7ae87-8
0.698
PET-UNK-b38839dc-29
0.698
PET-UNK-f9b7ae87-6
0.698
PET-UNK-b38839dc-28
0.698
PET-UNK-f9b7ae87-9
0.673
PET-UNK-fe31e24a-7
0.670
PET-UNK-f9b7ae87-7
0.667
PET-UNK-f9b7ae87-5
0.660
PET-UNK-f9b7ae87-4
0.646
PET-UNK-b38839dc-27
0.646
PET-UNK-f9b7ae87-3
0.646
PET-UNK-e9bc7c59-8
0.641
PET-UNK-e9bc7c59-9
0.623
PET-UNK-f9b7ae87-2
0.619
PET-UNK-f9b7ae87-1
0.594
PET-UNK-ad758083-3
0.571
MAT-POS-96f51285-1
0.569
MAT-POS-24589f88-1
0.569
EDJ-MED-611d11e7-7
0.569
PET-UNK-0d6841fa-3
0.536
ALP-POS-f1807566-2
0.529
PET-UNK-fe31e24a-1
0.529
PET-UNK-fe31e24a-8
0.519
MAT-POS-edabd372-2
0.505
PET-UNK-e9bc7c59-10
0.491
MAT-POS-22e8b45a-2
0.490
RAL-THA-176e263b-4
0.490
EDJ-MED-ce467fd5-3
0.483
PET-UNK-fe31e24a-5
0.481
EDJ-MED-827e7cb4-6
0.477
ALF-EVA-82cf4849-12
0.474
JOH-UNI-e398da21-1
0.467
PET-UNK-407a74a5-8
0.467
EDJ-MED-015fb6b4-1
0.465
RAL-THA-176e263b-1
0.463
PET-UNK-407a74a5-3
0.463
MAT-POS-22e8b45a-3
0.463
ALF-EVA-82cf4849-11
0.460
PET-UNK-f360ae44-15
0.454
PET-UNK-f360ae44-7
0.454
PET-UNK-b78139fa-16
0.453
EDG-MED-10fcb19e-5
0.452
PET-UNK-4d432d33-4
0.443
PET-UNK-4d432d33-7
0.443
PET-UNK-4d432d33-8
0.443
PET-UNK-4d432d33-3
0.443
ALP-POS-ce760d3f-6
0.440
MAT-POS-c7771779-2
0.440
PET-UNK-1abb40f2-3
0.440
PET-UNK-1abb40f2-1
0.440
MAT-POS-89e65850-1
0.440
EDJ-MED-00c1612e-1
0.440
PET-UNK-8df914d1-1
0.440
PET-UNK-1b92fa34-6
0.436
MIC-UNK-e8d6fb58-1
0.435
ALF-EVA-0b412456-2
0.434
MAT-POS-f9802937-7
0.431
PET-UNK-f360ae44-6
0.430
PET-UNK-f360ae44-8
0.430
PET-UNK-f360ae44-14
0.430
PET-UNK-f360ae44-16
0.430
PET-UNK-ee8352fa-1
0.429
PET-UNK-e9bc7c59-11
0.429
MAT-POS-a5ef2d74-2
0.427
MAT-POS-ec6d90b7-4
0.427
PET-UNK-407a74a5-18
0.427
EDJ-MED-611d11e7-4
0.427
MAT-POS-d8472c4f-3
0.427
MIC-UNK-ea4eb352-3
0.427
PET-UNK-f360ae44-4
0.426
PET-UNK-f360ae44-5
0.426
PET-UNK-f360ae44-12
0.426
PET-UNK-f360ae44-13
0.426
PET-UNK-b78139fa-17
0.426
ALF-EVA-82cf4849-4
0.423
PET-UNK-f360ae44-2
0.423
PET-UNK-f360ae44-10
0.423
PET-UNK-6e612674-2
0.422
PET-UNK-6e612674-10
0.422
PET-UNK-407a74a5-13
0.421
PET-UNK-4b4f2bb7-6
0.420
PET-UNK-9bf1291a-2
0.420
PET-UNK-f360ae44-1
0.418
PET-UNK-f360ae44-9
0.418
PET-UNK-e9bc7c59-12
0.418
PET-UNK-b566c0b0-2
0.417
PET-UNK-7bb24635-1
0.417
PET-UNK-022eab87-2
0.417
PET-UNK-b78139fa-18
0.417
PET-UNK-ad758083-4
0.415
PET-UNK-329a9ce9-6
0.415
PET-UNK-f360ae44-3
0.415
PET-UNK-f360ae44-11
0.415
ALF-EVA-82cf4849-8
0.414
MAT-POS-96f51285-2
0.412
EDJ-MED-611d11e7-1
0.412
PET-UNK-1b92fa34-8
0.412