Molecular Properties | |
SMILES: | Cn1ccc2cncc(NC(=O)[C@@H]3CCNc4ccc(Cl)cc43)c21 |
MW: | 340.11 |
Fraction sp3: | 0.22 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 58.95 |
cLogP: | 3.76 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-e274cad4-4
0.729
PET-UNK-b1ef24dc-9
0.600
MIC-UNK-91acba05-5
0.600
EDJ-MED-92e193ae-2
0.600
ALP-POS-477dc5b7-2
0.600
EDJ-MED-92e193ae-1
0.600
PET-UNK-b1ef24dc-10
0.593
PET-UNK-e274cad4-7
0.593
MAT-POS-86c60949-2
0.589
BEN-DND-d1eb1f41-10
0.589
PET-UNK-2c6614b6-4
0.581
PET-UNK-b78139fa-4
0.565
PET-UNK-b1ef24dc-12
0.559
BEN-DND-d1eb1f41-3
0.550
PET-UNK-b1ef24dc-11
0.548
PET-UNK-e274cad4-10
0.547
PET-UNK-7f7e354d-2
0.537
DAR-DIA-06c53477-6
0.537
DAR-DIA-06c53477-4
0.537
DAR-DIA-06c53477-5
0.537
BEN-DND-d1eb1f41-5
0.526
BEN-DND-d1eb1f41-1
0.526
PET-UNK-e274cad4-8
0.526
BEN-DND-d1eb1f41-2
0.520
EDG-MED-fe7487f8-4
0.489
BEN-DND-02317c5c-6
0.485
PET-UNK-c761fc18-7
0.475
BEN-DND-f06bfa8e-6
0.440
PET-UNK-e274cad4-6
0.440
PET-UNK-e274cad4-2
0.427
ALF-EVA-82cf4849-1
0.422
PET-UNK-2c6614b6-1
0.419
PET-UNK-7279c968-1
0.413
MAT-POS-e69ad64a-1
0.411
MAR-UCB-6ab2ec87-1
0.410
ALP-UNI-8d415491-3
0.410
ERI-UCB-b3e6b0c2-11
0.410
EDJ-MED-611d11e7-5
0.404
MAT-POS-ec6d90b7-5
0.404
PET-UNK-b78139fa-1
0.404
ALP-UNI-8d415491-6
0.404
ALP-POS-fe871b40-10
0.404
ALP-UNI-ba800595-2
0.404
EDJ-MED-611d11e7-11
0.402
ALP-UNI-8d415491-4
0.402
MAT-POS-f9802937-9
0.402
ALP-UNI-3735e77e-4
0.402
MAT-POS-78e1d523-6
0.402
MAT-POS-f9802937-8
0.402
MAT-POS-78e1d523-5
0.402
ALF-EVA-82cf4849-10
0.402
ERI-UCB-b3e6b0c2-2
0.400
DAR-DIA-5a24bef0-2
0.400
ALF-EVA-82cf4849-6
0.396
ALF-EVA-82cf4849-9
0.396
ALF-EVA-b701bd13-1
0.393
ALF-EVA-b701bd13-2
0.393
PET-UNK-e274cad4-5
0.393
EDJ-MED-fb4b7746-1
0.393
MAT-POS-2bb0cf2b-2
0.393
PET-UNK-b78139fa-13
0.390
ALP-UNI-8d415491-5
0.389
PET-UNK-4b4f2bb7-4
0.389
EDJ-MED-611d11e7-2
0.389
MAT-POS-96f51285-6
0.389
EDJ-MED-611d11e7-8
0.389
MAT-POS-ec6d90b7-6
0.389
PET-UNK-c761fc18-8
0.389
BEN-DND-f06bfa8e-1
0.387
EDJ-MED-fb4b7746-4
0.385
EDG-MED-0e5afe9d-1
0.385
ERI-UCB-b3e6b0c2-16
0.384
ALF-EVA-82cf4849-2
0.383
PET-UNK-c761fc18-5
0.383
ERI-UCB-b3e6b0c2-5
0.383
ALF-EVA-82cf4849-7
0.380
PET-UNK-c761fc18-6
0.378
PET-UNK-e274cad4-3
0.376
DAR-DIA-0f2f46c9-4
0.374
DAR-DIA-0f2f46c9-5
0.374
DAR-DIA-0f2f46c9-6
0.374
ERI-UCB-b3e6b0c2-8
0.372
MIC-UNK-45817b9b-1
0.371
MAT-POS-43c25e9b-1
0.371
MAT-POS-43c25e9b-2
0.371
EDJ-MED-a6bd50ad-1
0.371
DAR-DIA-0f2f46c9-13
0.369
DAR-DIA-0f2f46c9-14
0.369
ALP-POS-fe871b40-6
0.368
ROB-UNI-322e8f70-2
0.368
EDG-MED-5d232de5-5
0.368
EDG-MED-5d232de5-6
0.368
ROB-UNI-611831f5-2
0.368
MIC-UNK-91acba05-6
0.368
RAL-THA-8416115c-2
0.368
DAR-DIA-0f2f46c9-12
0.368
ALP-UNI-8d415491-1
0.366
EDJ-MED-ee742daa-2
0.366
DAR-DIA-0f2f46c9-10
0.364
DAR-DIA-0587064e-13
0.363