Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)N(c1cccc(Cl)c1)C1CCc2ccccc2C1 |
MW: | 427.15 |
Fraction sp3: | 0.15 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 45.23 |
cLogP: | 6.48 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-cdc2493e-6
0.805
MIC-UNK-cdc2493e-4
0.659
MIC-UNK-cdc2493e-11
0.656
MIC-UNK-cdc2493e-10
0.649
MIC-UNK-cdc2493e-17
0.648
MIC-UNK-cdc2493e-12
0.641
MIC-UNK-cdc2493e-5
0.641
MIC-UNK-cdc2493e-9
0.638
MIC-UNK-cdc2493e-20
0.634
MIC-UNK-cdc2493e-18
0.628
MIC-UNK-cdc2493e-21
0.621
MIC-UNK-cdc2493e-13
0.612
MIC-UNK-cdc2493e-14
0.600
MIC-UNK-cdc2493e-8
0.596
VLA-UCB-05e51b3f-14
0.520
EDJ-MED-c314995a-1
0.520
MIC-UNK-cdc2493e-1
0.515
MIC-UNK-bcd487e9-2
0.510
MIC-UNK-bcd487e9-3
0.505
PET-UNK-a17c93d1-1
0.500
VLA-UCB-34f3ed0c-6
0.495
MIC-UNK-cdc2493e-2
0.490
ADA-UCB-dc2b944c-18
0.486
MIC-UNK-bcd487e9-4
0.485
MIC-UNK-bcd487e9-6
0.485
MIC-UNK-cdc2493e-15
0.476
MIC-UNK-bcd487e9-7
0.476
MIC-UNK-bcd487e9-1
0.475
MIC-UNK-d36ab305-5
0.475
FRA-DIA-13af2da5-1
0.475
MIC-UNK-d36ab305-2
0.465
ADA-UCB-dc2b944c-6
0.463
MIC-UNK-bcd487e9-8
0.462
MIC-UNK-cdc2493e-19
0.461
MIC-UNK-cdc2493e-23
0.461
MIC-UNK-bcd487e9-5
0.461
MIC-UNK-cdc2493e-3
0.461
VLA-UCB-34f3ed0c-13
0.453
MIC-UNK-bcd487e9-10
0.452
VLA-UCB-34f3ed0c-7
0.449
MIC-UNK-cdc2493e-24
0.448
MIC-UNK-cdc2493e-16
0.448
ADA-UCB-dc2b944c-17
0.444
VLA-UCB-34f3ed0c-5
0.444
MIC-UNK-bcd487e9-9
0.443
ALP-POS-f13221e1-3
0.442
ADA-UCB-6c2cb422-1
0.441
MIC-UNK-cdc2493e-22
0.435
MIC-UNK-5a93dd5f-8
0.434
NAU-LAT-2fed8305-2
0.433
ADA-UCB-dc2b944c-3
0.431
RYA-UNI-14580791-1
0.429
NAU-LAT-2fed8305-1
0.427
ALF-EVA-650655fc-1
0.425
NAU-LAT-2fed8305-7
0.424
MIC-UNK-5a93dd5f-6
0.422
MAT-POS-fce787c2-2
0.419
VLA-UCB-1dbca3b4-16
0.419
ALP-POS-f13221e1-2
0.418
ALP-POS-ddb41b15-6
0.417
ADA-UCB-dc2b944c-2
0.416
BEN-DND-d1eb1f41-6
0.416
VLA-UNK-9a7dc93f-7
0.414
RAL-THA-2d450e86-27
0.412
RAL-THA-2d450e86-25
0.412
PET-UNK-dd44aeb6-1
0.412
MIC-UNK-5a93dd5f-1
0.411
ALF-EVA-650655fc-2
0.410
EDJ-MED-e4b030d8-12
0.410
MAT-POS-8e4737f4-2
0.410
MIC-UNK-c66144cb-3
0.409
MIC-UNK-5a93dd5f-9
0.409
ALP-POS-3b848b35-4
0.409
MAT-POS-53907a1c-3
0.408
VLA-UNK-b9c208fe-2
0.406
ALP-POS-d7944b10-8
0.405
NAU-LAT-2fed8305-3
0.404
MAT-POS-0c8fa4a7-1
0.404
PET-UNK-1320d94d-21
0.404
PET-UNK-1320d94d-22
0.404
ALF-EVA-650655fc-3
0.403
NAU-LAT-2fed8305-5
0.402
EDJ-MED-cf4b0d25-4
0.402
DAR-DIA-0587064e-3
0.402
MIC-UNK-d36ab305-4
0.402
EDJ-MED-50011917-1
0.402
MAT-POS-9ff17035-1
0.402
ALF-EVA-650655fc-6
0.402
MAT-POS-3b92565d-3
0.400
EDJ-MED-7320d5d2-1
0.400
ALP-POS-3b848b35-2
0.400
MAT-POS-1f3f1a6f-2
0.400
RYA-UNI-8a7f7a0d-1
0.400
ALP-POS-d7944b10-15
0.398
MIC-UNK-5a93dd5f-2
0.398
PET-UNK-8c422e11-1
0.398
RAL-THA-2d450e86-24
0.398
PET-UNK-dd44aeb6-2
0.398
MIC-UNK-5a93dd5f-4
0.396
DAR-DIA-0d514e7d-36
0.396