Molecular Properties | |
SMILES: | CC(=O)NCC(C(=O)Nc1cccc(Cl)c1)c1cncc2ccccc12 |
MW: | 367.11 |
Fraction sp3: | 0.15 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 71.09 |
cLogP: | 3.75 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
NAU-LAT-4ce8bf23-3
0.619
PET-UNK-8922bd3c-1
0.455
JOH-UNI-3fc3434e-6
0.398
JOH-UNI-ee5ed7c8-6
0.398
ALP-POS-76eab5ce-2
0.396
MIC-UNK-d36ab305-1
0.382
EDJ-MED-cf4b0d25-4
0.378
BEN-DND-61647d40-16
0.376
MIC-UNK-d36ab305-3
0.375
ALP-POS-f13221e1-3
0.372
MIC-UNK-c66144cb-1
0.368
NAU-LAT-a5c7d7cb-2
0.363
MIC-UNK-6ab519a7-1
0.363
MIC-UNK-5a93dd5f-10
0.363
NIR-THE-590dedc7-1
0.363
VLA-UNK-9a7dc93f-7
0.361
MIC-UNK-d36ab305-2
0.359
TRY-UNI-9f475305-11
0.359
MIC-UNK-c66144cb-2
0.358
ADA-UCB-6c2cb422-1
0.355
DAR-DIA-6a49afbe-1
0.351
ALP-POS-f13221e1-2
0.351
JOH-UNI-3fc3434e-7
0.350
JOH-UNI-ee5ed7c8-7
0.350
MIC-UNK-c66144cb-3
0.349
ALP-POS-3b848b35-4
0.349
MIC-UNK-5a93dd5f-4
0.349
JAG-UCB-cedd89ab-8
0.348
TRY-UNI-714a760b-12
0.348
ALP-POS-c3a96089-3
0.348
DAR-DIA-2964957d-1
0.347
ALP-POS-ddb41b15-6
0.347
UNK-UNK-2ede4078-104
0.347
EDJ-MED-49816e9b-1
0.344
NAU-LAT-2fed8305-1
0.344
NIR-WEI-f9286bb6-1
0.343
MAK-UNK-c749d764-6
0.343
MAK-UNK-ffc90da7-1
0.343
MIC-UNK-bcd487e9-9
0.343
MAT-POS-bb423b95-7
0.340
MAT-POS-90fd5f68-22
0.340
MAT-POS-bbbbc21a-1
0.340
MAT-POS-3b92565d-1
0.340
RAL-THA-2d450e86-29
0.340
TRY-UNI-714a760b-9
0.337
BEN-DND-61647d40-15
0.337
NAU-LAT-2fed8305-2
0.337
NAU-LAT-a5c7d7cb-8
0.337
MAK-UNK-ffc90da7-7
0.336
MIC-UNK-5a93dd5f-6
0.336
MIC-UNK-5a93dd5f-8
0.333
VLA-UCB-05e51b3f-17
0.333
RAL-THA-1d44ff04-3
0.333
PET-UNK-12d8d43f-2
0.333
EDJ-MED-ee07cf00-4
0.333
NAU-LAT-0543f7f2-9
0.330
MIC-UNK-cdc2493e-19
0.330
RAL-THA-2d450e86-27
0.330
MIC-UNK-5a93dd5f-5
0.327
MAT-POS-6c284e65-2
0.327
ALP-POS-c3a96089-4
0.327
MIC-UNK-cdc2493e-21
0.327
MIC-UNK-cdc2493e-17
0.327
JAN-GHE-d851b096-4
0.327
MIC-UNK-d36ab305-4
0.327
PET-UNK-5ecb6237-1
0.327
MAK-UNK-6ca90168-25
0.327
MAT-POS-fce787c2-11
0.327
BEN-DND-61647d40-11
0.326
MIC-UNK-66895286-2
0.326
WIL-UNI-0732ac76-2
0.325
MAT-POS-e6dd326d-9
0.325
MIC-UNK-5a93dd5f-7
0.325
DAR-DIA-5d6f1b43-20
0.324
MIC-UNK-5a93dd5f-1
0.324
MIC-UNK-bcd487e9-10
0.324
MIC-UNK-5a93dd5f-2
0.324
PET-UNK-b87f07d0-2
0.324
DAR-DIA-23aa0b97-19
0.323
MIC-UNK-66895286-5
0.323
ALP-POS-76eab5ce-1
0.323
MIC-UNK-02d7a284-3
0.322
NIR-WEI-f9286bb6-4
0.321
DAR-DIA-0587064e-2
0.321
MIC-UNK-cdc2493e-6
0.321
MAT-POS-54c4bf04-2
0.321
DAR-DIA-0cde14eb-54
0.320
PET-UNK-a692de38-1
0.320
PET-UNK-6c2be958-1
0.320
VLA-UCB-05e51b3f-15
0.320
PET-UNK-12d8d43f-1
0.320
MAT-POS-54c4bf04-3
0.320
EDJ-MED-ee07cf00-5
0.319
MIC-UNK-cdc2493e-18
0.318
ALP-POS-6479a3a9-3
0.318
ALP-POS-d7944b10-1
0.318
DAR-DIA-6a49afbe-2
0.317
NAU-LAT-2fed8305-7
0.317
MIC-UNK-c5a20098-1
0.317
DAR-DIA-0cde14eb-50
0.317