Molecular Properties | |
SMILES: | CC(=O)Nc1cnccc1CN1CC(=O)C(CNC(=O)NC2CCCCC2)C1 |
MW: | 387.484 |
Fraction sp3: | 0.6 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 103.43 |
cLogP: | 1.6728 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ketones
Ketone
CES-WAB-18e74d70-1
0.557
PET-SGC-c429dc17-1
0.557
MAK-UNK-f2409524-33
0.515
MAK-UNK-f2409524-15
0.511
MAK-UNK-f2409524-32
0.510
MAK-UNK-f2409524-31
0.475
DAR-DIA-03336633-5
0.446
DAR-DIA-03336633-6
0.443
MAK-UNK-f2409524-27
0.443
MAK-UNK-f2409524-28
0.441
MAK-UNK-f2409524-2
0.434
HAN-NEW-5f56c3bc-3
0.427
DAR-DIA-03336633-1
0.427
DAR-DIA-03336633-7
0.423
MAK-UNK-f2409524-18
0.420
TRY-UNI-714a760b-11
0.409
ALE-HEI-f28a35b5-7
0.409
MAK-UNK-f2409524-36
0.402
DAR-DIA-03336633-3
0.400
MAK-UNK-f2409524-21
0.390
DAR-DIA-03336633-4
0.389
MAK-UNK-f2409524-35
0.387
MAK-UNK-f2409524-30
0.384
MAK-UNK-f2409524-1
0.382
MAK-UNK-f2409524-26
0.382
MAK-UNK-f2409524-19
0.376
ANU-UNK-2781581f-2
0.376
MAK-UNK-f2409524-16
0.373
MAK-UNK-f2409524-24
0.364
LON-WEI-af038623-1
0.359
MAK-UNK-f2409524-17
0.358
DAR-DIA-03336633-2
0.352
CHA-KIN-ceadbd93-2
0.351
MAK-UNK-f2409524-20
0.350
CHA-KIN-ceadbd93-3
0.347
MAK-UNK-f2409524-23
0.345
MAK-UNK-f2409524-25
0.342
CHA-KIN-ceadbd93-6
0.337
MAK-UNK-f2409524-29
0.333
AAR-POS-d2a4d1df-12
0.333
TRY-UNI-714a760b-7
0.326
ALE-HEI-f28a35b5-8
0.326
NAU-LAT-3f5f3993-2
0.320
SAD-SAT-7d5528d9-2
0.315
SAM-UNK-2684b532-8
0.308
MAK-UNK-f2409524-37
0.304
BEN-DND-6de5dfa0-14
0.304
NIM-UNI-363644a0-2
0.303
SAD-SAT-24589cd1-6
0.298
DAR-DIA-03336633-11
0.295
DOU-UNK-b5326f8f-3
0.290
MAK-UNK-f2409524-6
0.289
SIM-DEM-2843056b-6
0.289
TRY-UNI-714a760b-10
0.289
ALE-HEI-f28a35b5-6
0.289
EDG-MED-0da5ad92-4
0.289
MAK-UNK-f2409524-14
0.288
JOH-IMS-d6628593-3
0.287
MAK-UNK-748f8b7a-6
0.287
SIM-DEM-2843056b-4
0.286
MAK-UNK-f2409524-7
0.286
AAR-POS-d2a4d1df-3
0.286
MAK-UNK-6435e6c2-8
0.286
PET-SGC-a9e9d4f4-1
0.286
MAK-UNK-f2409524-3
0.286
CHA-KIN-ceadbd93-4
0.284
MAK-UNK-f2409524-22
0.284
CHA-KIN-6d173bb5-2
0.283
SAD-SAT-7d5528d9-35
0.283
DAR-DIA-03336633-9
0.283
AAR-UNI-c25c2f1e-3
0.283
TRY-UNI-714a760b-16
0.283
MAK-UNK-7264f48c-2
0.282
CHA-KIN-ceadbd93-1
0.277
NAT-WAB-78d8bb1c-2
0.277
CHA-KIN-6d173bb5-1
0.276
PET-SGC-f913cec9-1
0.273
MAK-UNK-748f8b7a-9
0.270
MAK-UNK-f203cb68-1
0.270
CHA-KIN-ceadbd93-5
0.269
MAR-TRE-04c86cea-8
0.269
DAR-DIA-03336633-12
0.269
MAK-UNK-f2409524-4
0.268
EDJ-MED-3c65e9ce-4
0.267
NAM-UNK-f7c77a48-2
0.267
NIC-UNI-f08e2453-2
0.267
SAD-SAT-7d5528d9-6
0.265
MAT-POS-590ac91e-7
0.265
HAR-NEW-ca1d46ce-2
0.265
LON-WEI-5e7d1b3e-27
0.264
LON-WEI-4d77710c-27
0.264
MIC-UNK-ea979c74-4
0.263
JOH-IMS-d6628593-1
0.263
BEN-DND-93268d01-11
0.263
MAK-UNK-f203cb68-2
0.261
BEN-DND-6de5dfa0-4
0.260
BEN-DND-09b88bf4-4
0.260
THO-SYG-cc9e9a11-5
0.259
SIM-DEM-2843056b-2
0.259
DAR-DIA-03336633-8
0.259