Molecular Properties | |
SMILES: | CC(C)CCCN(C(=O)Nc1cncc2ccccc12)c1cccc(Cl)c1 |
MW: | 381.16 |
Fraction sp3: | 0.27 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 45.23 |
cLogP: | 6.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MIC-UNK-cdc2493e-3
0.671
MIC-UNK-cdc2493e-23
0.671
MIC-UNK-cdc2493e-24
0.667
MIC-UNK-cdc2493e-1
0.663
VLA-UCB-05e51b3f-14
0.648
EDJ-MED-c314995a-1
0.648
MIC-UNK-cdc2493e-16
0.648
MIC-UNK-cdc2493e-15
0.644
MIC-UNK-cdc2493e-2
0.644
VLA-UCB-34f3ed0c-13
0.633
MIC-UNK-cdc2493e-22
0.626
ADA-UCB-dc2b944c-6
0.624
MIC-UNK-bcd487e9-1
0.616
MIC-UNK-bcd487e9-5
0.614
MIC-UNK-bcd487e9-3
0.614
MIC-UNK-bcd487e9-2
0.600
MIC-UNK-bcd487e9-10
0.600
MIC-UNK-bcd487e9-9
0.587
MIC-UNK-bcd487e9-4
0.587
MIC-UNK-bcd487e9-6
0.587
MIC-UNK-bcd487e9-7
0.576
MIC-UNK-bcd487e9-8
0.576
MIC-UNK-d36ab305-5
0.527
FRA-DIA-13af2da5-1
0.527
VLA-UCB-34f3ed0c-7
0.526
MIC-UNK-cdc2493e-17
0.521
MIC-UNK-cdc2493e-18
0.521
VLA-UCB-34f3ed0c-5
0.520
MIC-UNK-d36ab305-2
0.516
VLA-UCB-34f3ed0c-6
0.515
MIC-UNK-cdc2493e-11
0.511
ADA-UCB-dc2b944c-18
0.505
MIC-UNK-cdc2493e-6
0.500
MIC-UNK-cdc2493e-12
0.500
MIC-UNK-cdc2493e-20
0.495
MIC-UNK-cdc2493e-9
0.485
MIC-UNK-cdc2493e-21
0.485
MIC-UNK-cdc2493e-4
0.485
MIC-UNK-cdc2493e-5
0.485
NAU-LAT-2fed8305-2
0.483
MIC-UNK-cdc2493e-10
0.480
ALP-POS-f13221e1-3
0.477
ADA-UCB-6c2cb422-1
0.477
PET-UNK-a17c93d1-1
0.475
MAK-UNK-ffc90da7-7
0.469
MIC-UNK-cdc2493e-8
0.466
RYA-UNI-14580791-1
0.464
VLA-UNK-9a7dc93f-7
0.462
MIC-UNK-cdc2493e-7
0.461
ADA-UCB-dc2b944c-3
0.461
ADA-UCB-dc2b944c-17
0.461
NAU-LAT-2fed8305-1
0.461
ADA-UCB-dc2b944c-2
0.457
ALF-EVA-650655fc-1
0.453
MIC-UNK-cdc2493e-13
0.452
ALP-POS-f13221e1-2
0.451
ALP-POS-ddb41b15-6
0.449
EDJ-MED-cf4b0d25-4
0.447
MAK-UNK-ffc90da7-1
0.446
MAK-UNK-c749d764-6
0.446
MIC-UNK-d36ab305-4
0.444
MIC-UNK-cdc2493e-14
0.443
NAU-LAT-2fed8305-7
0.441
JOH-UNI-3fc3434e-6
0.438
JOH-UNI-ee5ed7c8-6
0.438
MAT-POS-fce787c2-2
0.437
ALF-EVA-650655fc-2
0.436
PET-UNK-bb7ffe78-3
0.436
PET-UNK-bb7ffe78-1
0.435
RAL-THA-1d44ff04-11
0.433
LON-WEI-9739a092-8
0.433
DAR-DIA-2964957d-9
0.432
MIC-UNK-5a93dd5f-10
0.429
RAL-THA-2d450e86-27
0.429
ALF-EVA-650655fc-3
0.429
NAU-LAT-a5c7d7cb-2
0.429
MIC-UNK-6ab519a7-1
0.429
NIR-THE-590dedc7-1
0.429
MAT-POS-afd4d4fd-1
0.429
RAL-THA-2d450e86-20
0.429
ALF-EVA-650655fc-4
0.427
NAU-LAT-2fed8305-9
0.427
PET-UNK-b87f07d0-2
0.426
RAL-THA-2d450e86-15
0.424
MIC-UNK-5a93dd5f-9
0.423
VLA-UNK-b9c208fe-2
0.422
MIC-UNK-c66144cb-2
0.422
MIC-UNK-5a93dd5f-8
0.422
BEN-DND-d1eb1f41-4
0.421
MAT-POS-53907a1c-3
0.421
RAL-THA-2d450e86-30
0.420
MIC-UNK-d36ab305-1
0.420
ALF-EVA-650655fc-8
0.419
MAT-POS-281d2ee9-1
0.418
MAT-POS-fce787c2-3
0.418
MIC-UNK-c66144cb-1
0.417
BEN-DND-d1eb1f41-6
0.417
MAK-UNK-919546f0-5
0.414
ALF-EVA-650655fc-6
0.414
PET-UNK-dd44aeb6-1
0.413