Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)N(CCn1cnnc1)c1cccc(Cl)c1 |
MW: | 392.12 |
Fraction sp3: | 0.1 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 75.94 |
cLogP: | 4.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-cdc2493e-24
0.726
MIC-UNK-cdc2493e-22
0.721
VLA-UCB-34f3ed0c-13
0.709
MIC-UNK-cdc2493e-3
0.671
MIC-UNK-cdc2493e-19
0.671
MIC-UNK-cdc2493e-16
0.667
MIC-UNK-cdc2493e-1
0.663
EDJ-MED-c314995a-1
0.648
VLA-UCB-05e51b3f-14
0.648
MIC-UNK-cdc2493e-2
0.644
MIC-UNK-cdc2493e-15
0.644
MIC-UNK-bcd487e9-5
0.632
ADA-UCB-dc2b944c-6
0.624
MIC-UNK-bcd487e9-10
0.618
MIC-UNK-bcd487e9-1
0.616
MIC-UNK-bcd487e9-9
0.604
MIC-UNK-bcd487e9-3
0.596
MIC-UNK-bcd487e9-4
0.587
MIC-UNK-bcd487e9-6
0.587
MIC-UNK-bcd487e9-2
0.582
MIC-UNK-bcd487e9-8
0.576
MIC-UNK-bcd487e9-7
0.576
ADA-UCB-dc2b944c-18
0.536
VLA-UCB-34f3ed0c-7
0.526
MIC-UNK-cdc2493e-17
0.521
VLA-UCB-34f3ed0c-5
0.520
MIC-UNK-cdc2493e-5
0.516
VLA-UCB-34f3ed0c-6
0.515
MIC-UNK-d36ab305-5
0.511
FRA-DIA-13af2da5-1
0.511
MIC-UNK-d36ab305-2
0.500
MIC-UNK-cdc2493e-6
0.500
MIC-UNK-cdc2493e-4
0.500
MIC-UNK-cdc2493e-8
0.495
MIC-UNK-cdc2493e-11
0.495
MIC-UNK-cdc2493e-18
0.490
MIC-UNK-cdc2493e-12
0.485
NAU-LAT-2fed8305-2
0.483
MIC-UNK-cdc2493e-20
0.480
ALP-POS-f13221e1-3
0.477
ADA-UCB-6c2cb422-1
0.477
PET-UNK-a17c93d1-1
0.475
NAU-LAT-2fed8305-7
0.473
MIC-UNK-cdc2493e-21
0.470
MIC-UNK-cdc2493e-9
0.470
ALP-POS-f13221e1-2
0.467
MIC-UNK-cdc2493e-13
0.466
MIC-UNK-cdc2493e-10
0.465
RYA-UNI-14580791-1
0.464
MIC-UNK-cdc2493e-7
0.461
MIC-UNK-cdc2493e-14
0.457
ALF-EVA-650655fc-1
0.453
ALP-POS-ddb41b15-6
0.449
ADA-UCB-dc2b944c-3
0.447
ADA-UCB-dc2b944c-17
0.447
NAU-LAT-2fed8305-1
0.444
NAU-LAT-2fed8305-9
0.443
ALF-EVA-650655fc-4
0.440
ALF-EVA-650655fc-6
0.439
MAT-POS-fce787c2-2
0.437
ALF-EVA-650655fc-2
0.436
PET-UNK-bb7ffe78-3
0.436
PET-UNK-bb7ffe78-1
0.435
EDJ-MED-cf4b0d25-4
0.432
VLA-UNK-9a7dc93f-7
0.430
ADA-UCB-dc2b944c-2
0.430
ALF-EVA-650655fc-3
0.429
RAL-THA-1d44ff04-3
0.427
MAK-UNK-ffc90da7-7
0.426
JOR-UNI-2fc98d0b-9
0.423
JOH-UNI-ee5ed7c8-6
0.423
JOH-UNI-3fc3434e-6
0.423
VLA-UNK-b9c208fe-2
0.422
MAT-POS-53907a1c-3
0.421
RAL-THA-2d450e86-30
0.420
NAU-LAT-2fed8305-3
0.419
JOR-UNI-2fc98d0b-11
0.418
RAL-THA-1d44ff04-6
0.418
RAL-THA-1d44ff04-9
0.418
LON-WEI-af038623-3
0.418
NAU-LAT-2fed8305-5
0.418
PET-UNK-1320d94d-21
0.417
PET-UNK-1320d94d-22
0.417
MIC-UNK-d36ab305-4
0.416
NAU-LAT-a5c7d7cb-2
0.414
NIR-THE-590dedc7-1
0.414
MIC-UNK-6ab519a7-1
0.414
MIC-UNK-5a93dd5f-10
0.414
RAL-THA-2d450e86-25
0.413
PET-UNK-dd44aeb6-1
0.413
PET-UNK-dd44aeb6-2
0.413
RAL-THA-2d450e86-24
0.413
RAL-THA-2d450e86-27
0.413
PET-UNK-8c422e11-1
0.412
ALF-EVA-650655fc-7
0.412
MIC-UNK-5a93dd5f-2
0.412
RAL-THA-2d450e86-33
0.411
JOR-UNI-2fc98d0b-6
0.410
MIC-UNK-644c43c7-4
0.410
RAL-THA-2d450e86-2
0.409