Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)N(CCN1CCNCC1)c1cccc(Cl)c1 |
MW: | 409.17 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 60.5 |
cLogP: | 3.83 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-cdc2493e-23
0.709
MIC-UNK-cdc2493e-24
0.685
VLA-UCB-34f3ed0c-7
0.681
MIC-UNK-cdc2493e-22
0.663
MIC-UNK-cdc2493e-1
0.644
MIC-UNK-cdc2493e-19
0.633
MIC-UNK-cdc2493e-3
0.633
EDJ-MED-c314995a-1
0.630
VLA-UCB-05e51b3f-14
0.630
MIC-UNK-cdc2493e-15
0.628
MIC-UNK-cdc2493e-16
0.613
MIC-UNK-cdc2493e-2
0.611
JOR-UNI-2fc98d0b-10
0.604
ADA-UCB-dc2b944c-6
0.592
MIC-UNK-bcd487e9-10
0.585
MIC-UNK-bcd487e9-1
0.582
MIC-UNK-bcd487e9-3
0.581
MIC-UNK-bcd487e9-5
0.581
MIC-UNK-bcd487e9-9
0.573
MIC-UNK-bcd487e9-2
0.568
MIC-UNK-bcd487e9-8
0.562
MIC-UNK-bcd487e9-7
0.562
MIC-UNK-bcd487e9-4
0.557
MIC-UNK-bcd487e9-6
0.557
MIC-UNK-cdc2493e-17
0.526
VLA-UCB-34f3ed0c-6
0.505
FRA-DIA-13af2da5-1
0.500
MIC-UNK-d36ab305-5
0.500
ADA-UCB-dc2b944c-18
0.495
VLA-UCB-34f3ed0c-5
0.495
MIC-UNK-cdc2493e-18
0.495
MIC-UNK-cdc2493e-6
0.490
MIC-UNK-d36ab305-2
0.490
MIC-UNK-cdc2493e-11
0.485
MIC-UNK-cdc2493e-4
0.475
MIC-UNK-cdc2493e-5
0.475
MIC-UNK-cdc2493e-12
0.475
MIC-UNK-cdc2493e-13
0.472
MIC-UNK-cdc2493e-20
0.471
ALP-POS-f13221e1-3
0.467
PET-UNK-a17c93d1-1
0.467
ADA-UCB-6c2cb422-1
0.467
MIC-UNK-cdc2493e-14
0.463
MIC-UNK-cdc2493e-9
0.462
MIC-UNK-cdc2493e-21
0.462
ALF-EVA-650655fc-1
0.459
MIC-UNK-cdc2493e-8
0.458
NAU-LAT-2fed8305-2
0.457
JOR-UNI-2fc98d0b-9
0.457
MIC-UNK-cdc2493e-10
0.457
JOR-UNI-2fc98d0b-17
0.455
JOR-UNI-2fc98d0b-4
0.455
JOR-UNI-2fc98d0b-11
0.455
RYA-UNI-14580791-1
0.455
MIC-UNK-cdc2493e-7
0.453
ADA-UCB-dc2b944c-3
0.453
ADA-UCB-dc2b944c-17
0.453
ADA-UCB-dc2b944c-2
0.450
JOR-UNI-61e7b1d5-26
0.447
JOR-UNI-2fc98d0b-6
0.446
JOR-UNI-2fc98d0b-13
0.446
ALF-EVA-650655fc-4
0.445
RAL-THA-e002e396-10
0.444
ED_-GRI-5b13fbe2-65
0.443
ALF-EVA-650655fc-2
0.442
NAU-LAT-2fed8305-3
0.442
JOR-UNI-2fc98d0b-15
0.437
ALF-EVA-650655fc-3
0.435
NAU-LAT-2fed8305-7
0.433
MAT-POS-53907a1c-3
0.427
ALP-POS-f13221e1-2
0.427
ALP-POS-ddb41b15-6
0.426
NAU-LAT-a5c7d7cb-2
0.422
NIR-THE-590dedc7-1
0.422
MIC-UNK-6ab519a7-1
0.422
MIC-UNK-5a93dd5f-10
0.422
NAU-LAT-2fed8305-1
0.421
ALF-EVA-650655fc-6
0.420
ALF-EVA-650655fc-7
0.418
PET-UNK-c5865d42-1
0.417
RAL-THA-2d450e86-14
0.417
MIC-UNK-5a93dd5f-9
0.417
MIC-UNK-5a93dd5f-8
0.415
VLA-UNK-b9c208fe-2
0.415
ALF-EVA-650655fc-8
0.413
MAT-POS-fce787c2-2
0.413
NAU-LAT-2fed8305-4
0.412
EDJ-MED-cf4b0d25-4
0.410
DAR-DIA-0d514e7d-21
0.409
VLA-UNK-9a7dc93f-7
0.408
RAL-THA-2d450e86-27
0.406
PET-UNK-dd44aeb6-1
0.406
RAL-THA-2d450e86-25
0.406
MIC-UNK-5a93dd5f-2
0.406
MIC-UNK-5a93dd5f-1
0.406
VLA-UCB-05e51b3f-1
0.404
NAU-LAT-a5c7d7cb-1
0.404
ALP-POS-6747fa38-1
0.404
NIR-THE-d08c3b48-1
0.404
BEN-DND-6de5dfa0-11
0.404