Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)N(CCC1CCCCC1)c1cc(Cl)ccc1Cl |
MW: | 441.14 |
Fraction sp3: | 0.33 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 45.23 |
cLogP: | 7.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ADA-UCB-dc2b944c-3
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
VLA-UCB-34f3ed0c-6
0.556
ALF-EVA-650655fc-3
0.546
MIC-UNK-bcd487e9-3
0.536
ALF-EVA-650655fc-2
0.528
MIC-UNK-cdc2493e-2
0.505
MIC-UNK-cdc2493e-15
0.505
MIC-UNK-c66144cb-3
0.505
ALP-POS-3b848b35-4
0.505
ALF-EVA-650655fc-1
0.505
PET-UNK-a17c93d1-1
0.500
VLA-UCB-05e51b3f-13
0.487
DAR-DIA-6a508060-9
0.487
VLA-UCB-50c39ae8-10
0.487
MIC-UNK-bcd487e9-6
0.485
MIC-UNK-bcd487e9-4
0.485
ALF-EVA-650655fc-6
0.474
ADA-UCB-dc2b944c-18
0.472
MIC-UNK-cdc2493e-5
0.466
MIC-UNK-cdc2493e-19
0.461
ALF-EVA-650655fc-7
0.458
PET-UNK-dd44aeb6-2
0.457
RAL-THA-2d450e86-24
0.457
ALF-EVA-650655fc-8
0.454
VLA-UCB-34f3ed0c-13
0.453
MAT-POS-173a45da-1
0.452
MIC-UNK-cdc2493e-4
0.452
ADA-UCB-dc2b944c-6
0.450
MIC-UNK-cdc2493e-16
0.448
MIC-UNK-cdc2493e-23
0.447
MIC-UNK-bcd487e9-5
0.447
MIC-UNK-cdc2493e-3
0.447
MIC-UNK-bcd487e9-1
0.446
RYA-UNI-14580791-1
0.444
MIC-UNK-cdc2493e-7
0.444
MIC-UNK-cdc2493e-14
0.441
MIC-UNK-cdc2493e-12
0.438
ALF-EVA-650655fc-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-24
0.434
MIC-UNK-cdc2493e-11
0.433
MIC-UNK-cdc2493e-17
0.429
ALP-POS-477dc5b7-3
0.425
MIC-UNK-bcd487e9-10
0.425
MAT-POS-78e1d523-1
0.423
MIC-UNK-5d22d78d-4
0.422
MIC-UNK-cdc2493e-22
0.422
RAL-THA-eb6cb89c-2
0.421
MIC-UNK-cdc2493e-20
0.421
MIC-UNK-bcd487e9-7
0.421
MIC-UNK-bcd487e9-8
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
MAT-POS-e9e99895-10
0.413
MIC-UNK-cdc2493e-9
0.413
MIC-UNK-6e9f8a43-2
0.413
MIC-UNK-cdc2493e-21
0.413
ALP-POS-f13221e1-3
0.412
RAL-THA-2d450e86-27
0.412
MAT-POS-e9e99895-12
0.411
MAT-POS-a3f7f96a-1
0.411
ADA-UCB-6c2cb422-1
0.411
NAU-LAT-2fed8305-7
0.410
MAT-POS-136e7878-1
0.410
RAL-THA-05e671eb-3
0.410
MAT-UCB-93f6aed8-2
0.409
MIC-UNK-cdc2493e-10
0.409
MAT-POS-e9e99895-1
0.408
MAT-POS-fce787c2-7
0.408
RAL-THA-2d450e86-6
0.408
MAT-POS-2905de8c-3
0.406
EDJ-MED-e4b030d8-6
0.405
VLA-UCB-34f3ed0c-5
0.405
MAT-POS-fb82b63d-4
0.405
MAT-POS-fce787c2-2
0.404
MAT-POS-fce787c2-9
0.404
MAR-UCB-6ab2ec87-1
0.404
FRA-DIA-13af2da5-1
0.404
MIC-UNK-d36ab305-5
0.404
EDG-MED-971238d3-2
0.404
MAT-POS-9db1e783-2
0.404
EDJ-MED-424a8a89-2
0.404
NAU-LAT-2fed8305-5
0.402
BEN-DND-d1eb1f41-6
0.402
DAR-DIA-0587064e-3
0.402
PET-UNK-c0891748-10
0.402
MAT-POS-e119ab4f-4
0.402
PET-UNK-c0891748-4
0.402
MAT-POS-4223bc15-27
0.402