Molecular Properties | |
SMILES: | CC(=O)Nc1cnccc1CC(C)Cn1cc(C2CCCCC2)nn1 |
MW: | 341.459 |
Fraction sp3: | 0.58 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 72.7 |
cLogP: | 3.558 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-f2409524-24
0.628
MAK-UNK-f2409524-21
0.414
MAK-UNK-f2409524-2
0.402
MAK-UNK-f2409524-27
0.381
PET-SGC-c429dc17-1
0.379
CES-WAB-18e74d70-1
0.379
MAK-UNK-f2409524-1
0.378
MAK-UNK-f2409524-26
0.378
MAK-UNK-f2409524-15
0.374
CHA-KIN-ceadbd93-3
0.371
MAK-UNK-f2409524-31
0.359
MAK-UNK-f2409524-28
0.356
MAK-UNK-f2409524-33
0.356
MAK-UNK-f2409524-32
0.355
MAK-UNK-f2409524-30
0.355
MAK-UNK-f2409524-25
0.349
MAK-UNK-f2409524-34
0.345
CHA-KIN-ceadbd93-2
0.344
MAK-UNK-f203cb68-1
0.333
MAK-UNK-f2409524-36
0.328
MAK-UNK-7264f48c-2
0.324
SAD-SAT-7d5528d9-2
0.320
MAK-UNK-f2409524-29
0.316
MAK-UNK-f2409524-18
0.308
MAK-UNK-f2409524-19
0.304
CHA-KIN-ceadbd93-6
0.304
MAK-UNK-f2409524-20
0.303
MAK-UNK-f2409524-22
0.302
TRY-UNI-714a760b-16
0.301
MAK-UNK-f203cb68-2
0.301
CHA-KIN-ceadbd93-5
0.299
CHA-KIN-6d173bb5-2
0.298
MAK-UNK-f2409524-35
0.297
JOH-IMS-d6628593-3
0.292
ANU-UNK-2781581f-2
0.291
DAR-DIA-03336633-6
0.289
CHA-KIN-ceadbd93-4
0.288
SAD-SAT-7d5528d9-35
0.287
CHO-MSK-6e55470f-7
0.285
DAR-DIA-03336633-5
0.284
ALE-HEI-f28a35b5-7
0.283
TRY-UNI-714a760b-11
0.283
DAR-DIA-03336633-1
0.282
HAN-NEW-5f56c3bc-3
0.282
CHA-KIN-ceadbd93-1
0.281
NAT-WAB-78d8bb1c-2
0.280
SAD-SAT-7d5528d9-6
0.280
ALE-HEI-f28a35b5-6
0.280
JOH-IMS-d6628593-1
0.280
TRY-UNI-714a760b-10
0.280
EDG-MED-0da5ad92-4
0.280
DAR-DIA-03336633-7
0.279
DAR-DIA-03336633-3
0.276
JUL-TUD-06b2044f-146
0.275
MAK-UNK-f2409524-16
0.272
CHA-KIN-6d173bb5-1
0.269
MED-UNK-e6e8ef8a-1
0.269
CHO-MSK-6e55470f-18
0.268
DAR-DIA-0cde14eb-18
0.268
RIT-AID-b8bd8251-1
0.267
CHA-KIN-f512e507-1
0.266
CHO-MSK-6e55470f-2
0.264
DAR-DIA-03336633-11
0.264
DAR-DIA-03336633-9
0.264
MAK-UNK-902cc841-16
0.262
MAT-POS-590ac91e-2
0.261
MAT-POS-590ac91e-1
0.261
ERI-UCB-5b47150d-1
0.261
CHA-KIN-f512e507-2
0.261
BEN-DND-6de5dfa0-10
0.260
AAR-POS-d2a4d1df-3
0.259
MAK-UNK-6435e6c2-8
0.259
DAR-DIA-03336633-4
0.258
BEN-DND-6de5dfa0-14
0.257
WIL-MOD-03b86a88-3
0.257
CHA-KIN-f512e507-3
0.257
ERI-UCB-5b47150d-4
0.256
JOH-IMS-d6628593-2
0.255
MAT-POS-590ac91e-7
0.255
ERI-UCB-5b47150d-6
0.255
MAT-POS-590ac91e-5
0.255
BEN-DND-93268d01-11
0.253
SAM-UNK-2684b532-8
0.252
MAK-UNK-129dcd6f-6
0.250
MAR-TRE-74c6519b-57
0.250
MAT-POS-136e7878-2
0.248
MAT-POS-136e7878-1
0.248
MAK-UNK-f203cb68-4
0.248
MAR-TRE-74c6519b-48
0.248
MAT-POS-590ac91e-15
0.247
MAK-UNK-f2409524-17
0.246
CHA-KIN-cd2ef30b-1
0.246
DAR-DIA-0cde14eb-17
0.246
DAR-DIA-0cde14eb-19
0.246
DAR-DIA-0cde14eb-71
0.245
DOU-UNK-b5326f8f-3
0.245
EDJ-MED-3c65e9ce-2
0.245
NAU-LAT-3f5f3993-2
0.245
AAR-POS-d2a4d1df-13
0.245
FRA-FAC-9ed5a63a-1
0.245