Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)N(CCC1CCCCC1)c1cc(Cl)ccc1O |
MW: | 423.17 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 65.46 |
cLogP: | 6.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ADA-UCB-dc2b944c-17
0.773
ADA-UCB-dc2b944c-2
0.739
EDJ-MED-c314995a-1
0.670
VLA-UCB-05e51b3f-14
0.670
MIC-UNK-cdc2493e-1
0.630
MAT-POS-53907a1c-3
0.579
MIC-UNK-bcd487e9-2
0.573
ALF-EVA-650655fc-3
0.546
VLA-UCB-34f3ed0c-6
0.540
MIC-UNK-bcd487e9-3
0.536
ALF-EVA-650655fc-2
0.528
MIC-UNK-cdc2493e-15
0.505
ALF-EVA-650655fc-1
0.505
PET-UNK-a17c93d1-1
0.500
MIC-UNK-cdc2493e-2
0.490
ALP-POS-3b848b35-4
0.490
MIC-UNK-c66144cb-3
0.490
VLA-UCB-05e51b3f-13
0.487
DAR-DIA-6a508060-9
0.487
VLA-UCB-50c39ae8-10
0.487
MIC-UNK-bcd487e9-4
0.485
MIC-UNK-bcd487e9-6
0.485
ALF-EVA-650655fc-6
0.474
MIC-UNK-cdc2493e-19
0.461
ALF-EVA-650655fc-7
0.458
ADA-UCB-dc2b944c-18
0.458
ALF-EVA-650655fc-8
0.454
VLA-UCB-34f3ed0c-13
0.453
MAT-POS-173a45da-1
0.452
MIC-UNK-cdc2493e-5
0.452
ALF-EVA-650655fc-4
0.450
ADA-UCB-dc2b944c-6
0.450
MIC-UNK-cdc2493e-3
0.447
MIC-UNK-cdc2493e-23
0.447
MIC-UNK-bcd487e9-1
0.446
RYA-UNI-14580791-1
0.444
MIC-UNK-cdc2493e-14
0.441
MIC-UNK-cdc2493e-12
0.438
MIC-UNK-cdc2493e-4
0.438
MIC-UNK-cdc2493e-6
0.437
MIC-UNK-cdc2493e-13
0.436
MIC-UNK-cdc2493e-8
0.436
VLA-UCB-34f3ed0c-7
0.435
MIC-UNK-cdc2493e-22
0.435
MIC-UNK-cdc2493e-16
0.434
MIC-UNK-cdc2493e-24
0.434
MIC-UNK-bcd487e9-8
0.434
RAL-THA-eb6cb89c-2
0.434
MIC-UNK-cdc2493e-11
0.433
MIC-UNK-bcd487e9-5
0.433
MIC-UNK-cdc2493e-7
0.431
MIC-UNK-cdc2493e-17
0.429
PET-UNK-dd44aeb6-2
0.427
RAL-THA-2d450e86-24
0.427
ALP-POS-477dc5b7-3
0.425
MIC-UNK-bcd487e9-10
0.425
MIC-UNK-5a93dd5f-2
0.425
RAL-THA-05e671eb-3
0.423
MAT-POS-78e1d523-1
0.423
MIC-UNK-5d22d78d-4
0.422
EDJ-MED-eb111c00-3
0.422
MIC-UNK-cdc2493e-20
0.421
MIC-UNK-bcd487e9-7
0.421
NAU-LAT-2fed8305-2
0.418
BEN-BAS-c2bc0d80-1
0.417
MIC-UNK-cdc2493e-18
0.417
MIC-UNK-bcd487e9-9
0.417
ROB-UNI-322e8f70-1
0.413
MIC-UNK-cdc2493e-21
0.413
MIC-UNK-cdc2493e-9
0.413
RAL-THA-2d450e86-27
0.412
ALP-POS-f13221e1-3
0.412
EDJ-MED-6d9ff7d0-8
0.412
MAT-POS-a3f7f96a-1
0.411
ADA-UCB-6c2cb422-1
0.411
NAU-LAT-2fed8305-7
0.410
MAT-POS-136e7878-1
0.410
MIC-UNK-cdc2493e-10
0.409
MAT-UCB-93f6aed8-2
0.409
MAT-POS-e6dd326d-2
0.409
MAT-POS-45b13633-2
0.409
MIC-UNK-37660950-4
0.409
VLA-UCB-05e51b3f-12
0.408
VLA-UCB-50c39ae8-9
0.408
ALP-POS-a577c8a2-2
0.407
MIC-UNK-5a93dd5f-8
0.407
MAK-UNK-c749d764-26
0.406
VLA-UCB-1dbca3b4-14
0.406
EDJ-MED-e4b030d8-1
0.406
ROB-UNI-322e8f70-3
0.406
MAT-POS-2905de8c-3
0.406
MIC-UNK-91acba05-1
0.406
MAT-POS-865c3497-1
0.406
MAT-POS-865c3497-2
0.406
MAT-POS-22e8b45a-1
0.406
EDJ-MED-e4b030d8-6
0.405
VLA-UCB-34f3ed0c-5
0.405
MAT-POS-fce787c2-2
0.404
EDJ-MED-9e38fd34-2
0.404
EDJ-MED-9e38fd34-1
0.404