Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)N(CCn1cncn1)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-22
0.736
MIC-UNK-cdc2493e-23
0.726
VLA-UCB-34f3ed0c-13
0.685
MIC-UNK-cdc2493e-19
0.667
MIC-UNK-cdc2493e-3
0.648
MIC-UNK-cdc2493e-1
0.640
MIC-UNK-cdc2493e-16
0.626
VLA-UCB-05e51b3f-14
0.626
EDJ-MED-c314995a-1
0.626
MIC-UNK-bcd487e9-10
0.615
MIC-UNK-cdc2493e-2
0.606
MIC-UNK-cdc2493e-15
0.606
MIC-UNK-bcd487e9-9
0.602
MIC-UNK-bcd487e9-1
0.596
MIC-UNK-bcd487e9-5
0.593
ADA-UCB-dc2b944c-6
0.588
MIC-UNK-bcd487e9-3
0.576
MIC-UNK-bcd487e9-8
0.574
MIC-UNK-bcd487e9-2
0.564
MIC-UNK-bcd487e9-7
0.558
MIC-UNK-bcd487e9-4
0.552
MIC-UNK-bcd487e9-6
0.552
MIC-UNK-cdc2493e-17
0.521
FRA-DIA-13af2da5-1
0.511
MIC-UNK-d36ab305-5
0.511
VLA-UCB-34f3ed0c-7
0.510
VLA-UCB-34f3ed0c-6
0.500
MIC-UNK-d36ab305-2
0.500
MIC-UNK-cdc2493e-11
0.495
ADA-UCB-dc2b944c-18
0.490
VLA-UCB-34f3ed0c-5
0.490
MIC-UNK-cdc2493e-18
0.490
MIC-UNK-cdc2493e-12
0.485
MIC-UNK-cdc2493e-6
0.485
MIC-UNK-cdc2493e-20
0.480
MIC-UNK-cdc2493e-21
0.471
MIC-UNK-cdc2493e-9
0.471
MIC-UNK-cdc2493e-4
0.470
MIC-UNK-cdc2493e-5
0.470
MIC-UNK-cdc2493e-13
0.467
MIC-UNK-cdc2493e-10
0.466
ALP-POS-f13221e1-3
0.462
NAU-LAT-2fed8305-1
0.462
PET-UNK-a17c93d1-1
0.462
ADA-UCB-6c2cb422-1
0.461
MIC-UNK-cdc2493e-8
0.453
NAU-LAT-2fed8305-2
0.452
ALP-POS-ddb41b15-6
0.451
RYA-UNI-14580791-1
0.448
MIC-UNK-cdc2493e-7
0.448
MIC-UNK-cdc2493e-14
0.444
ALF-EVA-650655fc-1
0.440
PET-UNK-bb7ffe78-3
0.438
ALP-POS-f13221e1-2
0.436
ADA-UCB-dc2b944c-3
0.434
ADA-UCB-dc2b944c-17
0.434
VLA-UNK-9a7dc93f-7
0.432
ADA-UCB-dc2b944c-2
0.431
MIC-UNK-6ab519a7-1
0.430
MIC-UNK-5a93dd5f-10
0.430
NAU-LAT-a5c7d7cb-2
0.430
NIR-THE-590dedc7-1
0.430
ALF-EVA-650655fc-4
0.429
NAU-LAT-2fed8305-7
0.427
ALF-EVA-650655fc-2
0.425
VLA-UNK-b9c208fe-2
0.424
MIC-UNK-5a93dd5f-8
0.423
RAL-THA-2d450e86-30
0.422
MAT-POS-fce787c2-2
0.422
PET-UNK-bb7ffe78-1
0.421
DAR-DIA-2964957d-9
0.418
EDJ-MED-cf4b0d25-4
0.418
PET-UNK-1320d94d-22
0.418
PET-UNK-1320d94d-21
0.418
MIC-UNK-d36ab305-4
0.417
ALF-EVA-650655fc-3
0.417
RAL-THA-2d450e86-27
0.415
MAK-UNK-ffc90da7-7
0.413
NAU-LAT-2fed8305-9
0.413
MIC-UNK-5a93dd5f-6
0.411
MIC-UNK-5a93dd5f-9
0.411
RAL-THA-2d450e86-15
0.411
MAT-POS-53907a1c-3
0.410
JOH-UNI-ee5ed7c8-6
0.410
JOH-UNI-3fc3434e-6
0.410
NAU-LAT-2fed8305-3
0.406
RAL-THA-1d44ff04-11
0.406
JOR-UNI-2fc98d0b-11
0.406
NAU-LAT-2fed8305-5
0.404
BEN-DND-d1eb1f41-6
0.404
ALF-EVA-650655fc-6
0.403
PET-UNK-1320d94d-25
0.402
PET-UNK-1320d94d-26
0.402
PET-UNK-dd44aeb6-1
0.400
PET-UNK-dd44aeb6-2
0.400
RAL-THA-2d450e86-24
0.400
MIC-UNK-5a93dd5f-1
0.400
MIC-UNK-5a93dd5f-2
0.400
MIC-UNK-45817b9b-2
0.400
PET-UNK-8c422e11-1
0.400