Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)N(CC1CCCC1)c1cccc(Cl)c1 |
MW: | 379.15 |
Fraction sp3: | 0.27 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 45.23 |
cLogP: | 6.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-c314995a-1
MIC-UNK-bcd487e9-2
0.946
MIC-UNK-cdc2493e-1
0.744
MIC-UNK-bcd487e9-4
0.718
MIC-UNK-bcd487e9-6
0.718
VLA-UCB-05e51b3f-14
0.706
EDJ-MED-c314995a-1
0.706
VLA-UCB-34f3ed0c-6
0.633
MIC-UNK-cdc2493e-2
0.626
MIC-UNK-cdc2493e-15
0.626
MIC-UNK-bcd487e9-1
0.616
MIC-UNK-cdc2493e-19
0.614
ADA-UCB-dc2b944c-6
0.606
MIC-UNK-bcd487e9-5
0.596
MIC-UNK-cdc2493e-23
0.596
MIC-UNK-cdc2493e-3
0.596
PET-UNK-a17c93d1-1
0.585
MIC-UNK-bcd487e9-10
0.582
MIC-UNK-cdc2493e-5
0.582
VLA-UCB-34f3ed0c-13
0.581
MIC-UNK-bcd487e9-7
0.576
MIC-UNK-cdc2493e-16
0.576
MIC-UNK-cdc2493e-24
0.576
MIC-UNK-bcd487e9-8
0.576
MIC-UNK-cdc2493e-8
0.573
MIC-UNK-bcd487e9-9
0.570
ADA-UCB-dc2b944c-18
0.568
MIC-UNK-cdc2493e-4
0.565
MIC-UNK-cdc2493e-22
0.558
MIC-UNK-cdc2493e-12
0.548
MIC-UNK-cdc2493e-11
0.543
VLA-UCB-34f3ed0c-7
0.542
MIC-UNK-cdc2493e-17
0.538
ADA-UCB-dc2b944c-3
0.536
ADA-UCB-dc2b944c-17
0.536
MIC-UNK-cdc2493e-6
0.533
MIC-UNK-cdc2493e-21
0.531
MIC-UNK-cdc2493e-20
0.526
MIC-UNK-cdc2493e-10
0.526
MIC-UNK-cdc2493e-18
0.521
MIC-UNK-cdc2493e-9
0.515
MIC-UNK-cdc2493e-14
0.515
ADA-UCB-dc2b944c-2
0.515
MIC-UNK-d36ab305-5
0.511
FRA-DIA-13af2da5-1
0.511
MIC-UNK-cdc2493e-13
0.510
MIC-UNK-cdc2493e-7
0.505
VLA-UCB-34f3ed0c-5
0.505
MIC-UNK-d36ab305-2
0.500
ALF-EVA-650655fc-3
0.495
MAT-POS-173a45da-1
0.485
NAU-LAT-2fed8305-2
0.483
ALP-POS-3b848b35-4
0.480
MIC-UNK-c66144cb-3
0.480
ALP-POS-f13221e1-3
0.477
NAU-LAT-2fed8305-1
0.477
ADA-UCB-6c2cb422-1
0.477
ALF-EVA-650655fc-2
0.477
MAT-POS-53907a1c-3
0.473
NAU-LAT-2fed8305-7
0.473
MIC-UNK-5a93dd5f-2
0.469
ALF-EVA-650655fc-1
0.467
RYA-UNI-14580791-1
0.464
MIC-UNK-5a93dd5f-1
0.455
ALP-POS-f13221e1-2
0.451
ALP-POS-ddb41b15-6
0.449
JOH-UNI-3fc3434e-6
0.438
JOH-UNI-ee5ed7c8-6
0.438
MAT-POS-fce787c2-2
0.437
MIC-UNK-5d22d78d-4
0.436
ALF-EVA-650655fc-7
0.436
MIC-UNK-5a93dd5f-8
0.436
MIC-UNK-5a93dd5f-3
0.434
EDJ-MED-cf4b0d25-4
0.432
ALF-EVA-650655fc-8
0.431
VLA-UNK-9a7dc93f-7
0.430
PET-UNK-1320d94d-21
0.430
PET-UNK-1320d94d-22
0.430
ALF-EVA-650655fc-6
0.426
MAT-POS-78e1d523-1
0.424
MAT-POS-136e7878-1
0.424
ALP-UNI-ba800595-1
0.424
RAL-THA-05e671eb-3
0.424
MIC-UNK-5a93dd5f-6
0.423
MIC-UNK-5a93dd5f-9
0.423
VLA-UNK-b9c208fe-2
0.422
MIC-UNK-c66144cb-2
0.422
MAK-UNK-c749d764-26
0.421
DAR-DIA-0587064e-14
0.421
RAL-THA-2d450e86-30
0.420
NAU-LAT-2fed8305-3
0.419
EDJ-MED-cf4b0d25-3
0.419
EDJ-MED-ee07cf00-4
0.419
EDJ-MED-e4b030d8-6
0.419
BEN-BAS-c2bc0d80-1
0.418
BEN-DND-d1eb1f41-6
0.417
DAR-DIA-0587064e-3
0.416
MAT-POS-e119ab4f-4
0.416
MIC-UNK-d36ab305-4
0.416
PET-UNK-c0891748-4
0.416
PET-UNK-c0891748-10
0.416