Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)N(CCc1ccco1)c1cccc(Cl)c1 |
MW: | 391.11 |
Fraction sp3: | 0.09 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 58.37 |
cLogP: | 5.76 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-bcd487e9-5
0.747
MIC-UNK-cdc2493e-3
0.726
MIC-UNK-cdc2493e-23
0.667
MIC-UNK-cdc2493e-19
0.648
MIC-UNK-cdc2493e-1
0.640
MIC-UNK-cdc2493e-24
0.626
EDJ-MED-c314995a-1
0.626
VLA-UCB-05e51b3f-14
0.626
MIC-UNK-cdc2493e-2
0.624
MIC-UNK-bcd487e9-1
0.614
VLA-UCB-34f3ed0c-13
0.613
MIC-UNK-cdc2493e-15
0.606
MIC-UNK-cdc2493e-22
0.606
ADA-UCB-dc2b944c-6
0.604
MIC-UNK-bcd487e9-3
0.576
MIC-UNK-bcd487e9-8
0.574
MIC-UNK-bcd487e9-4
0.568
MIC-UNK-bcd487e9-2
0.564
MIC-UNK-bcd487e9-10
0.564
MIC-UNK-bcd487e9-7
0.558
MIC-UNK-bcd487e9-6
0.552
MIC-UNK-bcd487e9-9
0.552
MIC-UNK-d36ab305-5
0.511
FRA-DIA-13af2da5-1
0.511
MIC-UNK-cdc2493e-17
0.505
ADA-UCB-dc2b944c-18
0.505
VLA-UCB-34f3ed0c-5
0.505
VLA-UCB-34f3ed0c-6
0.500
MIC-UNK-d36ab305-2
0.500
VLA-UCB-34f3ed0c-7
0.495
MIC-UNK-cdc2493e-6
0.485
MIC-UNK-cdc2493e-11
0.480
ALP-POS-f13221e1-3
0.478
ADA-UCB-6c2cb422-1
0.477
PET-UNK-a17c93d1-1
0.476
MIC-UNK-cdc2493e-18
0.475
MIC-UNK-cdc2493e-4
0.470
MIC-UNK-cdc2493e-12
0.470
MIC-UNK-cdc2493e-5
0.470
MIC-UNK-cdc2493e-20
0.465
RYA-UNI-14580791-1
0.465
NAU-LAT-2fed8305-9
0.461
MIC-UNK-cdc2493e-21
0.456
MIC-UNK-cdc2493e-9
0.456
PET-UNK-1e7f2e90-1
0.454
MIC-UNK-cdc2493e-8
0.453
PET-UNK-bb7ffe78-3
0.453
MIC-UNK-cdc2493e-10
0.452
NAU-LAT-2fed8305-2
0.452
ADA-UCB-dc2b944c-17
0.448
MIC-UNK-cdc2493e-7
0.448
MIC-UNK-cdc2493e-14
0.444
NAU-LAT-2fed8305-7
0.442
ALF-EVA-650655fc-1
0.440
VLA-UNK-b9c208fe-2
0.440
MIC-UNK-cdc2493e-13
0.439
RAL-THA-2d450e86-30
0.438
MAT-POS-fce787c2-2
0.438
ALP-POS-f13221e1-2
0.436
PET-UNK-bb7ffe78-1
0.436
ALP-POS-ddb41b15-6
0.435
NAU-LAT-2fed8305-5
0.435
ADA-UCB-dc2b944c-3
0.434
VLA-UNK-9a7dc93f-7
0.432
ADA-UCB-dc2b944c-2
0.431
NAU-LAT-2fed8305-1
0.430
PET-UNK-3c72d439-1
0.426
ALF-EVA-650655fc-2
0.425
ALF-EVA-650655fc-3
0.417
ALF-EVA-650655fc-6
0.415
PET-UNK-dd44aeb6-2
0.415
RAL-THA-2d450e86-24
0.415
RAL-THA-2d450e86-27
0.415
PET-UNK-dd44aeb6-1
0.415
RAL-THA-2d450e86-25
0.415
RAL-THA-1d44ff04-3
0.414
PET-UNK-b87f07d0-2
0.413
ALF-EVA-650655fc-7
0.413
RAL-THA-2d450e86-33
0.413
MIC-UNK-644c43c7-4
0.412
RAL-THA-2d450e86-2
0.411
RAL-THA-2d450e86-14
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
MAT-POS-afd4d4fd-3
0.409
ALF-EVA-650655fc-8
0.408
MAT-POS-bbbbc21a-1
0.408
RAL-THA-2d450e86-29
0.408
MAT-POS-3b92565d-1
0.408
MIC-UNK-644c43c7-3
0.408
LON-WEI-9739a092-8
0.407
RAL-THA-1d44ff04-11
0.406
RAL-THA-1d44ff04-6
0.406
RAL-THA-1d44ff04-9
0.406
ERI-UCB-ce40166b-23
0.404
EDJ-MED-cf4b0d25-4
0.404
RAL-THA-1d44ff04-13
0.404
DAR-DIA-2964957d-9
0.404