Molecular Properties | |
SMILES: | CC(=O)N(C)C1CCC(N(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)C1 |
MW: | 436.17 |
Fraction sp3: | 0.29 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 65.54 |
cLogP: | 5.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-cdc2493e-12
0.840
MIC-UNK-cdc2493e-20
0.786
MIC-UNK-cdc2493e-10
0.739
MIC-UNK-cdc2493e-11
0.729
MIC-UNK-cdc2493e-17
0.701
MIC-UNK-cdc2493e-4
0.693
MIC-UNK-cdc2493e-5
0.693
MIC-UNK-cdc2493e-9
0.689
MIC-UNK-cdc2493e-18
0.678
MIC-UNK-cdc2493e-8
0.677
MIC-UNK-cdc2493e-14
0.663
MIC-UNK-cdc2493e-6
0.659
MIC-UNK-cdc2493e-13
0.625
MIC-UNK-cdc2493e-7
0.621
MIC-UNK-d36ab305-2
0.537
FRA-DIA-13af2da5-1
0.532
MIC-UNK-d36ab305-5
0.532
MIC-UNK-bcd487e9-3
0.531
MIC-UNK-cdc2493e-1
0.526
MIC-UNK-bcd487e9-2
0.520
MIC-UNK-bcd487e9-1
0.516
VLA-UCB-05e51b3f-14
0.515
EDJ-MED-c314995a-1
0.515
MIC-UNK-5a93dd5f-6
0.515
MIC-UNK-bcd487e9-4
0.510
MIC-UNK-bcd487e9-6
0.510
PET-UNK-a17c93d1-1
0.510
MIC-UNK-bcd487e9-7
0.500
MIC-UNK-bcd487e9-9
0.495
VLA-UCB-34f3ed0c-6
0.490
MIC-UNK-bcd487e9-10
0.490
MIC-UNK-cdc2493e-2
0.485
MIC-UNK-cdc2493e-15
0.485
MIC-UNK-bcd487e9-8
0.485
MIC-UNK-cdc2493e-3
0.485
MIC-UNK-cdc2493e-19
0.485
MIC-UNK-bcd487e9-5
0.485
MIC-UNK-5a93dd5f-7
0.481
ADA-UCB-dc2b944c-18
0.481
ADA-UCB-dc2b944c-6
0.472
VLA-UCB-34f3ed0c-7
0.471
MIC-UNK-cdc2493e-24
0.471
MIC-UNK-5a93dd5f-8
0.471
MIC-UNK-cdc2493e-23
0.470
VLA-UCB-34f3ed0c-13
0.462
MIC-UNK-cdc2493e-22
0.457
MIC-UNK-cdc2493e-16
0.456
RYA-UNI-14580791-1
0.455
EDJ-MED-cf4b0d25-4
0.454
VLA-UCB-34f3ed0c-5
0.453
NAU-LAT-2fed8305-1
0.452
ALP-POS-f13221e1-3
0.452
MIC-UNK-d36ab305-4
0.451
MIC-UNK-5a93dd5f-9
0.443
NAU-LAT-2fed8305-2
0.442
ADA-UCB-6c2cb422-1
0.435
NAU-LAT-2fed8305-7
0.433
MIC-UNK-d36ab305-1
0.427
ALP-POS-f13221e1-2
0.427
EDJ-MED-ee07cf00-4
0.426
ALP-POS-ddb41b15-6
0.426
BEN-DND-d1eb1f41-6
0.424
PET-UNK-1320d94d-21
0.423
PET-UNK-1320d94d-22
0.423
VLA-UNK-9a7dc93f-7
0.423
MIC-UNK-6ab519a7-1
0.422
NIR-THE-590dedc7-1
0.422
NAU-LAT-a5c7d7cb-2
0.422
MIC-UNK-5a93dd5f-10
0.422
RAL-THA-2d450e86-27
0.421
ALP-POS-d7944b10-15
0.418
MIC-UNK-5a93dd5f-5
0.418
MIC-UNK-5a93dd5f-4
0.417
PET-UNK-1320d94d-1
0.416
PET-UNK-1320d94d-2
0.416
ADA-UCB-dc2b944c-3
0.413
ADA-UCB-dc2b944c-17
0.413
ADA-UCB-dc2b944c-2
0.411
EDJ-MED-cf4b0d25-5
0.411
PET-UNK-1320d94d-27
0.410
PET-UNK-1320d94d-28
0.410
DAR-DIA-2964957d-9
0.410
MAR-UCB-6ab2ec87-3
0.410
MAT-POS-1f3f1a6f-2
0.408
ALF-EVA-650655fc-1
0.407
MIC-UNK-5a93dd5f-1
0.406
MIC-UNK-5a93dd5f-2
0.406
RAL-THA-05e671eb-3
0.404
MIC-UNK-c66144cb-3
0.404
ALP-POS-3b848b35-4
0.404
EDG-MED-90036822-86
0.402
RAL-THA-8416115c-9
0.402
EDJ-MED-ee07cf00-18
0.402
ALP-POS-a9ad2217-2
0.400
MAT-POS-8e4737f4-1
0.400
DAR-DIA-6a508060-10
0.400
EDJ-MED-e4b030d8-13
0.400
BEN-DND-a7517465-4
0.400
DAR-DIA-0d514e7d-30
0.400
RAL-THA-4aa06b95-4
0.400