Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)N(c1cccc(Cl)c1)C1CC2CCCC2C1 |
MW: | 405.16 |
Fraction sp3: | 0.33 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 45.23 |
cLogP: | 6.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-cdc2493e-5
0.921
MIC-UNK-cdc2493e-8
0.759
MIC-UNK-cdc2493e-12
0.718
MIC-UNK-cdc2493e-11
0.714
MIC-UNK-cdc2493e-17
0.706
MIC-UNK-cdc2493e-10
0.705
MIC-UNK-cdc2493e-21
0.693
MIC-UNK-cdc2493e-9
0.693
MIC-UNK-cdc2493e-20
0.690
MIC-UNK-cdc2493e-6
0.682
MIC-UNK-cdc2493e-18
0.682
MIC-UNK-cdc2493e-14
0.667
MIC-UNK-cdc2493e-13
0.663
MIC-UNK-cdc2493e-7
0.659
MIC-UNK-bcd487e9-3
0.565
MIC-UNK-cdc2493e-1
0.559
MIC-UNK-bcd487e9-2
0.553
EDJ-MED-c314995a-1
0.547
VLA-UCB-05e51b3f-14
0.547
VLA-UCB-34f3ed0c-6
0.536
MIC-UNK-bcd487e9-4
0.526
MIC-UNK-bcd487e9-6
0.526
PET-UNK-a17c93d1-1
0.525
FRA-DIA-13af2da5-1
0.516
MIC-UNK-d36ab305-5
0.516
MIC-UNK-cdc2493e-2
0.515
MIC-UNK-cdc2493e-15
0.515
ADA-UCB-dc2b944c-18
0.510
MIC-UNK-cdc2493e-23
0.500
MIC-UNK-bcd487e9-1
0.500
MIC-UNK-5a93dd5f-1
0.490
MIC-UNK-d36ab305-2
0.490
ADA-UCB-dc2b944c-6
0.485
VLA-UCB-34f3ed0c-7
0.485
MIC-UNK-bcd487e9-8
0.485
MIC-UNK-bcd487e9-7
0.485
MIC-UNK-cdc2493e-3
0.485
MIC-UNK-cdc2493e-19
0.485
MIC-UNK-bcd487e9-5
0.485
MIC-UNK-bcd487e9-9
0.480
VLA-UCB-34f3ed0c-13
0.475
MIC-UNK-bcd487e9-10
0.475
MIC-UNK-cdc2493e-22
0.471
MIC-UNK-cdc2493e-24
0.470
MIC-UNK-cdc2493e-16
0.470
VLA-UCB-34f3ed0c-5
0.466
MIC-UNK-5a93dd5f-2
0.460
NAU-LAT-2fed8305-2
0.457
MIC-UNK-5a93dd5f-8
0.455
RYA-UNI-14580791-1
0.453
ADA-UCB-dc2b944c-17
0.452
ALP-POS-f13221e1-3
0.451
NAU-LAT-2fed8305-1
0.451
ADA-UCB-6c2cb422-1
0.449
NAU-LAT-2fed8305-7
0.447
MIC-UNK-5a93dd5f-6
0.442
ALP-POS-f13221e1-2
0.441
ALP-POS-ddb41b15-6
0.440
ADA-UCB-dc2b944c-3
0.438
EDJ-MED-cf4b0d25-4
0.438
ALP-POS-477dc5b7-1
0.430
MIC-UNK-91acba05-4
0.430
MAT-POS-78e1d523-1
0.430
MIC-UNK-5a93dd5f-9
0.429
ALP-POS-3b848b35-4
0.429
MIC-UNK-c66144cb-3
0.429
ALF-EVA-650655fc-2
0.429
MIC-UNK-5a93dd5f-3
0.426
EDJ-MED-ee07cf00-4
0.425
BEN-BAS-c2bc0d80-1
0.424
PET-UNK-022eab87-1
0.424
ADA-UCB-dc2b944c-2
0.422
MIC-UNK-d36ab305-4
0.422
VLA-UNK-9a7dc93f-7
0.421
MIC-UNK-5a93dd5f-11
0.421
NIR-THE-590dedc7-1
0.420
MIC-UNK-5a93dd5f-10
0.420
MIC-UNK-6ab519a7-1
0.420
NAU-LAT-a5c7d7cb-2
0.420
ALF-EVA-650655fc-1
0.418
MIC-UNK-91acba05-3
0.416
RAL-THA-05e671eb-3
0.416
MAT-POS-66a736cf-1
0.416
LUO-POS-868e8996-13
0.416
LUO-POS-868e8996-14
0.416
MIC-UNK-5a93dd5f-4
0.415
JOH-UNI-3fc3434e-6
0.414
JOH-UNI-ee5ed7c8-6
0.414
MIC-UNK-5a93dd5f-7
0.413
RAL-THA-05e671eb-26
0.412
EDJ-MED-cf4b0d25-3
0.411
MAT-POS-fce787c2-2
0.411
DAR-DIA-6a508060-11
0.411
PET-UNK-1320d94d-21
0.409
PET-UNK-1320d94d-22
0.409
PET-UNK-1320d94d-28
0.409
PET-UNK-1320d94d-27
0.409
ALF-EVA-650655fc-3
0.409
BEN-DND-d1eb1f41-6
0.408
MAT-POS-e119ab4f-4
0.408