Molecular Properties | |
SMILES: | Cn1ncc2cncc(NC(=O)[C@@H]3CCNc4ccc(Cl)cc43)c21 |
MW: | 341.1 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 71.84 |
cLogP: | 3.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-e274cad4-9
0.729
PET-UNK-b1ef24dc-9
0.611
PET-UNK-e274cad4-2
0.609
MAT-POS-86c60949-2
0.600
BEN-DND-d1eb1f41-10
0.600
PET-UNK-2c6614b6-1
0.596
EDJ-MED-92e193ae-1
0.593
ALP-POS-477dc5b7-2
0.593
MIC-UNK-91acba05-5
0.593
EDJ-MED-92e193ae-2
0.593
PET-UNK-7279c968-1
0.591
PET-UNK-b1ef24dc-10
0.587
DAR-DIA-06c53477-4
0.581
DAR-DIA-06c53477-6
0.581
PET-UNK-b78139fa-1
0.581
DAR-DIA-06c53477-5
0.581
PET-UNK-e274cad4-5
0.562
PET-UNK-b1ef24dc-11
0.543
PET-UNK-e274cad4-3
0.541
PET-UNK-b1ef24dc-12
0.537
PET-UNK-7f7e354d-2
0.531
BEN-DND-d1eb1f41-3
0.529
BEN-DND-d1eb1f41-5
0.520
BEN-DND-d1eb1f41-1
0.520
BEN-DND-d1eb1f41-2
0.515
PET-UNK-19e211a9-1
0.491
MAT-POS-bfd29aac-1
0.491
PET-UNK-c761fc18-3
0.490
EDG-MED-fe7487f8-4
0.484
BEN-DND-02317c5c-6
0.480
PET-UNK-e274cad4-1
0.452
RUB-POS-1325a9ea-14
0.452
BEN-DND-f06bfa8e-6
0.436
PET-UNK-f9b7ae87-1
0.426
PET-UNK-e274cad4-7
0.417
PET-UNK-2c6614b6-4
0.410
DAR-DIA-5a24bef0-2
0.410
MAT-POS-e69ad64a-1
0.407
MAR-UCB-6ab2ec87-1
0.406
ALP-UNI-8d415491-3
0.406
PET-UNK-b78139fa-10
0.406
ALF-EVA-82cf4849-1
0.404
PET-UNK-c761fc18-4
0.404
PET-UNK-4b4f2bb7-1
0.404
MAT-POS-ec6d90b7-5
0.400
ALP-UNI-ba800595-2
0.400
ALP-POS-fe871b40-10
0.400
ALP-UNI-8d415491-6
0.400
EDJ-MED-611d11e7-5
0.400
PET-UNK-c761fc18-1
0.398
ALP-UNI-8d415491-5
0.398
ALF-EVA-82cf4849-10
0.398
EDJ-MED-611d11e7-2
0.398
MAT-POS-78e1d523-5
0.398
MAT-POS-f9802937-9
0.398
EDJ-MED-611d11e7-11
0.398
MAT-POS-f9802937-8
0.398
MAT-POS-78e1d523-6
0.398
ALP-UNI-8d415491-4
0.398
ALP-UNI-3735e77e-4
0.398
BEN-DND-f06bfa8e-1
0.396
ERI-UCB-b3e6b0c2-2
0.396
PET-UNK-b78139fa-4
0.394
PET-UNK-c761fc18-2
0.393
ERI-UCB-b3e6b0c2-11
0.393
ALF-EVA-82cf4849-6
0.393
ALF-EVA-82cf4849-9
0.392
ALF-EVA-b701bd13-1
0.389
ALF-EVA-b701bd13-2
0.389
MAT-POS-ec6d90b7-6
0.385
MAT-POS-96f51285-6
0.385
EDJ-MED-611d11e7-8
0.385
PET-UNK-e274cad4-10
0.383
EDG-MED-0e5afe9d-1
0.382
EDJ-MED-fb4b7746-4
0.382
DAR-DIA-06c53477-3
0.381
DAR-DIA-06c53477-2
0.381
DAR-DIA-06c53477-1
0.381
ERI-UCB-b3e6b0c2-16
0.381
ALF-EVA-82cf4849-2
0.380
ERI-UCB-b3e6b0c2-5
0.379
EDJ-MED-ee742daa-2
0.376
MAT-POS-2bb0cf2b-2
0.376
EDJ-MED-fb4b7746-1
0.376
ALF-EVA-82cf4849-7
0.376
PET-UNK-81b485b5-3
0.375
PET-UNK-81b485b5-17
0.375
ALP-UNI-ba800595-1
0.371
ERI-UCB-b3e6b0c2-8
0.368
MAT-POS-43c25e9b-1
0.368
MAT-POS-43c25e9b-2
0.368
MIC-UNK-45817b9b-1
0.368
EDJ-MED-a6bd50ad-1
0.368
PET-UNK-e274cad4-8
0.367
MIC-UNK-91acba05-6
0.364
RAL-THA-8416115c-2
0.364
EDG-MED-5d232de5-5
0.364
EDG-MED-5d232de5-6
0.364
ROB-UNI-322e8f70-2
0.364
DAR-DIA-0f2f46c9-12
0.364