Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)N(OCC1CCCCC1)c1cccc(Cl)c1 |
MW: | 409.16 |
Fraction sp3: | 0.3 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 54.46 |
cLogP: | 6.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Oxygen-nitrogen single bond
Singel acyclic N-O bonds
Filter89_hydroxylamine
acyclic NO not nitro
Hetero_hetero
Nitrosone_not_nitro
MIC-UNK-bcd487e9-2
0.624
EDJ-MED-c314995a-1
0.617
VLA-UCB-05e51b3f-14
0.617
VLA-UCB-34f3ed0c-6
0.604
MIC-UNK-bcd487e9-3
0.585
MIC-UNK-cdc2493e-1
0.579
MIC-UNK-cdc2493e-5
0.541
MIC-UNK-bcd487e9-6
0.530
MIC-UNK-cdc2493e-6
0.526
MIC-UNK-cdc2493e-4
0.525
MIC-UNK-cdc2493e-11
0.520
MIC-UNK-cdc2493e-15
0.520
MIC-UNK-cdc2493e-17
0.515
MIC-UNK-bcd487e9-4
0.515
MIC-UNK-cdc2493e-12
0.510
MIC-UNK-cdc2493e-21
0.510
ADA-UCB-dc2b944c-2
0.509
FRA-DIA-13af2da5-1
0.505
MIC-UNK-d36ab305-5
0.505
MIC-UNK-cdc2493e-20
0.505
MIC-UNK-cdc2493e-2
0.505
MIC-UNK-cdc2493e-8
0.505
MIC-UNK-cdc2493e-13
0.505
MIC-UNK-cdc2493e-7
0.500
ADA-UCB-dc2b944c-3
0.500
ADA-UCB-dc2b944c-18
0.500
MIC-UNK-cdc2493e-18
0.500
ADA-UCB-dc2b944c-17
0.500
MIC-UNK-cdc2493e-14
0.495
MIC-UNK-cdc2493e-9
0.495
MIC-UNK-d36ab305-2
0.495
MIC-UNK-c66144cb-3
0.490
MIC-UNK-cdc2493e-10
0.490
ALP-POS-3b848b35-4
0.490
MIC-UNK-bcd487e9-7
0.490
MIC-UNK-bcd487e9-1
0.490
ADA-UCB-dc2b944c-6
0.477
VLA-UCB-34f3ed0c-7
0.476
MIC-UNK-cdc2493e-16
0.476
MIC-UNK-bcd487e9-5
0.475
MIC-UNK-cdc2493e-3
0.475
MIC-UNK-cdc2493e-19
0.475
MIC-UNK-cdc2493e-23
0.475
VLA-UCB-34f3ed0c-5
0.472
VLA-UCB-34f3ed0c-13
0.467
MIC-UNK-bcd487e9-10
0.466
MIC-UNK-cdc2493e-24
0.462
MIC-UNK-bcd487e9-8
0.462
RYA-UNI-14580791-1
0.461
MIC-UNK-bcd487e9-9
0.457
MAT-POS-53907a1c-3
0.457
ADA-UCB-6c2cb422-1
0.457
NAU-LAT-2fed8305-7
0.454
MIC-UNK-cdc2493e-22
0.449
VLA-UCB-05e51b3f-13
0.448
DAR-DIA-6a508060-9
0.448
VLA-UCB-50c39ae8-10
0.448
NAU-LAT-2fed8305-2
0.448
MIC-UNK-5d22d78d-4
0.447
ALP-POS-ddb41b15-6
0.447
ALP-POS-f13221e1-3
0.442
MAT-POS-173a45da-1
0.438
MIC-UNK-5a93dd5f-2
0.438
ALP-POS-f13221e1-2
0.433
DAR-DIA-0587064e-3
0.429
ALF-EVA-650655fc-3
0.427
ALF-EVA-5b152d2f-1
0.425
MIC-UNK-5a93dd5f-1
0.425
ALF-EVA-650655fc-2
0.422
MIC-UNK-5a93dd5f-8
0.421
RAL-THA-2d450e86-30
0.419
MAT-POS-fce787c2-2
0.419
MIC-UNK-5a93dd5f-11
0.414
VLA-UNK-9a7dc93f-7
0.414
NAU-LAT-2fed8305-1
0.412
ALF-EVA-650655fc-1
0.412
MIC-UNK-5d22d78d-1
0.412
RYA-UNI-8a7f7a0d-1
0.412
MAK-UNK-ffc90da7-7
0.411
MIC-UNK-5a93dd5f-6
0.409
MIC-UNK-5a93dd5f-9
0.409
DAR-DIA-0d514e7d-27
0.409
JOH-UNI-ee5ed7c8-6
0.408
JOH-UNI-3fc3434e-6
0.408
MAK-UNK-8be7dca9-10
0.407
MIC-UNK-5a93dd5f-3
0.407
EDJ-MED-e4b030d8-6
0.405
EDJ-MED-cf4b0d25-5
0.404
PET-UNK-1320d94d-21
0.404
PET-UNK-1320d94d-22
0.404
EDJ-MED-cf4b0d25-4
0.402
MIC-UNK-d36ab305-4
0.402
PET-UNK-c0891748-4
0.402
PET-UNK-c0891748-10
0.402
ALP-POS-477dc5b7-3
0.400
MIC-UNK-5a93dd5f-10
0.400
MIC-UNK-5a93dd5f-12
0.400
NAU-LAT-a5c7d7cb-2
0.400
MIC-UNK-6ab519a7-1
0.400
NIR-THE-590dedc7-1
0.400