Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3cnn(C)c23)CNC(=O)c2ccc(Cl)cc21 |
MW: | 385.09 |
Fraction sp3: | 0.22 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 98.14 |
cLogP: | 1.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-f9b7ae87-2
0.625
ALP-POS-f1807566-3
0.619
PET-UNK-f9b7ae87-5
0.616
PET-UNK-c761fc18-3
0.612
PET-UNK-b38839dc-28
0.604
PET-UNK-f9b7ae87-6
0.604
PET-UNK-f9b7ae87-8
0.604
PET-UNK-f9b7ae87-9
0.598
PET-UNK-b78139fa-10
0.598
PET-UNK-fe31e24a-3
0.594
PET-UNK-fe31e24a-4
0.594
PET-UNK-b38839dc-29
0.588
PET-UNK-f9b7ae87-4
0.586
PET-UNK-b38839dc-27
0.586
PET-UNK-f9b7ae87-7
0.577
PET-UNK-e9bc7c59-7
0.575
PET-UNK-c761fc18-4
0.574
PET-UNK-e9bc7c59-8
0.570
PET-UNK-f9b7ae87-3
0.570
PET-UNK-c761fc18-1
0.570
PET-UNK-e9bc7c59-9
0.569
PET-UNK-4b4f2bb7-1
0.559
PET-UNK-c761fc18-2
0.543
PET-UNK-81b485b5-17
0.538
PET-UNK-81b485b5-3
0.538
PET-UNK-7279c968-1
0.510
PET-UNK-ad758083-3
0.477
PET-UNK-0d6841fa-3
0.448
PET-UNK-e274cad4-4
0.426
PET-UNK-c761fc18-7
0.418
RUB-POS-1325a9ea-14
0.410
PET-UNK-e274cad4-1
0.410
PET-UNK-e274cad4-5
0.405
PET-UNK-407a74a5-18
0.405
PET-UNK-fe31e24a-8
0.405
PET-UNK-b78139fa-1
0.404
PET-UNK-b78139fa-13
0.404
PET-UNK-e274cad4-3
0.402
PET-UNK-e274cad4-2
0.400
PET-UNK-407a74a5-13
0.400
RAL-THA-176e263b-4
0.400
MAT-POS-22e8b45a-2
0.400
PET-UNK-fe31e24a-7
0.400
PET-UNK-e9bc7c59-10
0.397
JOH-UNI-e398da21-1
0.393
PET-UNK-2c6614b6-1
0.393
MAT-POS-edabd372-2
0.391
PET-UNK-407a74a5-8
0.391
PET-UNK-c761fc18-8
0.389
PET-UNK-407a74a5-3
0.389
RAL-THA-176e263b-1
0.389
MAT-POS-22e8b45a-3
0.389
PET-UNK-e9bc7c59-12
0.387
PET-UNK-e9bc7c59-11
0.385
PET-UNK-c761fc18-5
0.384
EDJ-MED-827e7cb4-6
0.381
PET-UNK-6e612674-1
0.379
PET-UNK-6e612674-9
0.379
PET-UNK-4b4f2bb7-4
0.377
PET-UNK-f360ae44-6
0.376
PET-UNK-f360ae44-7
0.376
PET-UNK-f360ae44-15
0.376
PET-UNK-f360ae44-14
0.376
PET-UNK-6e612674-2
0.375
PET-UNK-6e612674-10
0.375
MIC-UNK-e8d6fb58-1
0.375
MAT-POS-bfd29aac-1
0.371
PET-UNK-19e211a9-1
0.371
PET-UNK-1abb40f2-1
0.368
PET-UNK-1abb40f2-3
0.368
PET-UNK-c761fc18-6
0.368
PET-UNK-4d432d33-3
0.364
PET-UNK-4d432d33-4
0.364
PET-UNK-4d432d33-7
0.364
PET-UNK-4d432d33-8
0.364
PET-UNK-6e612674-3
0.361
PET-UNK-6e612674-11
0.361
EDJ-MED-015fb6b4-1
0.361
PET-UNK-f360ae44-2
0.359
PET-UNK-f360ae44-10
0.359
EDJ-MED-ce467fd5-3
0.357
PET-UNK-b78139fa-18
0.357
MIC-UNK-ea4eb352-3
0.357
MAT-POS-d8472c4f-3
0.357
PET-UNK-f360ae44-8
0.354
PET-UNK-f360ae44-16
0.354
PET-UNK-b78139fa-17
0.354
MAT-POS-f9802937-1
0.353
PET-UNK-f360ae44-5
0.352
PET-UNK-f360ae44-13
0.352
PET-UNK-6e612674-5
0.350
PET-UNK-6e612674-13
0.350
PET-UNK-ad758083-4
0.350
PET-UNK-6e612674-6
0.345
PET-UNK-6e612674-14
0.345
MAT-POS-a5ef2d74-3
0.345
MAT-POS-89e65850-1
0.345
PET-UNK-b78139fa-14
0.345
MAT-POS-c7771779-2
0.345
PET-UNK-f4e47ebd-17
0.345