Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)N(CCC1CCCC1)c1cccc(Cl)c1 |
MW: | 393.16 |
Fraction sp3: | 0.3 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 45.23 |
cLogP: | 6.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-c314995a-1
0.947
VLA-UCB-05e51b3f-14
0.947
MIC-UNK-bcd487e9-3
0.744
MIC-UNK-cdc2493e-2
0.733
MIC-UNK-cdc2493e-15
0.733
MIC-UNK-bcd487e9-2
0.706
MIC-UNK-cdc2493e-3
0.663
MIC-UNK-cdc2493e-19
0.663
MIC-UNK-cdc2493e-23
0.663
ADA-UCB-dc2b944c-6
0.652
MIC-UNK-bcd487e9-4
0.652
VLA-UCB-34f3ed0c-13
0.644
MIC-UNK-cdc2493e-24
0.640
MIC-UNK-cdc2493e-16
0.640
MIC-UNK-bcd487e9-6
0.633
ADA-UCB-dc2b944c-3
0.630
ADA-UCB-dc2b944c-17
0.630
VLA-UCB-34f3ed0c-6
0.626
ALF-EVA-650655fc-3
0.626
MIC-UNK-cdc2493e-22
0.620
MIC-UNK-bcd487e9-1
0.609
MIC-UNK-bcd487e9-5
0.607
ADA-UCB-dc2b944c-2
0.604
MAT-POS-53907a1c-3
0.598
MAT-POS-136e7878-1
0.596
ALF-EVA-650655fc-2
0.590
PET-UNK-a17c93d1-1
0.579
MIC-UNK-cdc2493e-5
0.576
MIC-UNK-bcd487e9-10
0.576
MIC-UNK-bcd487e9-8
0.570
MIC-UNK-bcd487e9-7
0.570
MAT-UCB-93f6aed8-2
0.568
ALF-EVA-650655fc-1
0.566
MIC-UNK-cdc2493e-17
0.565
MIC-UNK-bcd487e9-9
0.564
ADA-UCB-dc2b944c-18
0.562
MAT-POS-173a45da-1
0.559
MIC-UNK-cdc2493e-4
0.559
MIC-UNK-cdc2493e-11
0.554
MIC-UNK-cdc2493e-8
0.551
JOR-UNI-2fc98d0b-12
0.544
MIC-UNK-cdc2493e-6
0.543
MIC-UNK-cdc2493e-12
0.543
MIC-UNK-cdc2493e-20
0.537
VLA-UCB-34f3ed0c-7
0.536
MIC-UNK-cdc2493e-13
0.535
MIC-UNK-cdc2493e-18
0.531
MIC-UNK-cdc2493e-21
0.526
MIC-UNK-cdc2493e-9
0.526
MIC-UNK-cdc2493e-14
0.525
ALP-POS-3b848b35-4
0.520
MIC-UNK-cdc2493e-10
0.520
MIC-UNK-c66144cb-3
0.520
JOR-UNI-2fc98d0b-8
0.517
MIC-UNK-cdc2493e-7
0.515
ALF-EVA-650655fc-6
0.514
ALF-EVA-650655fc-7
0.509
MIC-UNK-d36ab305-5
0.505
FRA-DIA-13af2da5-1
0.505
ALF-EVA-650655fc-8
0.505
VLA-UCB-34f3ed0c-5
0.500
MIC-UNK-d36ab305-2
0.495
NAU-LAT-2fed8305-2
0.494
ALF-EVA-650655fc-4
0.487
NAU-LAT-2fed8305-7
0.484
VLA-UCB-50c39ae8-10
0.473
VLA-UCB-05e51b3f-13
0.473
DAR-DIA-6a508060-9
0.473
ALP-POS-f13221e1-3
0.472
ADA-UCB-6c2cb422-1
0.471
RYA-UNI-14580791-1
0.459
NAU-LAT-2fed8305-1
0.456
MIC-UNK-5a93dd5f-2
0.450
ALP-POS-477dc5b7-3
0.449
ALP-POS-f13221e1-2
0.446
MIC-UNK-5d22d78d-4
0.445
ALP-POS-ddb41b15-6
0.444
MIC-UNK-5a93dd5f-1
0.436
RAL-THA-05e671eb-3
0.434
JOH-UNI-3fc3434e-6
0.433
JOH-UNI-ee5ed7c8-6
0.433
MAT-POS-fce787c2-2
0.432
MAK-UNK-c749d764-26
0.432
MIC-UNK-5a93dd5f-8
0.431
EDJ-MED-e4b030d8-6
0.429
EDJ-MED-cf4b0d25-4
0.427
RAY-UNI-5365d7e5-1
0.426
VLA-UNK-9a7dc93f-7
0.426
MIC-UNK-5a93dd5f-11
0.425
NAU-LAT-2fed8305-9
0.422
MAT-POS-2905de8c-2
0.422
MAK-UNK-ffc90da7-2
0.421
MAK-UNK-c749d764-12
0.421
EDG-MED-90036822-100
0.421
PET-UNK-c5865d42-1
0.420
MAT-POS-78e1d523-1
0.420
MIC-UNK-5a93dd5f-6
0.419
MIC-UNK-5a93dd5f-9
0.419
EDG-MED-90036822-15
0.418
EDG-MED-90036822-3
0.418