Molecular Properties | |
SMILES: | CC(=O)Nc1cnccc1CNC(=O)C(NC(C)=O)NC(=O)NC1CCCCC1 |
MW: | 404.471 |
Fraction sp3: | 0.53 |
HBA: | 5 |
HBD: | 5 |
Rotatable Bonds: | 7 |
TPSA: | 141.32 |
cLogP: | 0.7503 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_acetal
het-C-het not in ring
acyclic N-C-N
Long aliphatic chain
Dipeptide
geminal_amines
MAK-UNK-f2409524-33
0.655
CES-WAB-18e74d70-1
0.536
PET-SGC-c429dc17-1
0.536
MAK-UNK-f2409524-15
0.506
MAK-UNK-f2409524-34
0.475
MAK-UNK-f2409524-32
0.474
MAK-UNK-f2409524-19
0.456
MAK-UNK-f2409524-27
0.451
MAK-UNK-f2409524-36
0.444
MAK-UNK-f2409524-30
0.441
MAK-UNK-f2409524-2
0.441
MAK-UNK-f2409524-18
0.441
MAK-UNK-f2409524-21
0.438
HAN-NEW-5f56c3bc-3
0.433
DAR-DIA-03336633-1
0.433
MAK-UNK-f2409524-28
0.433
TRY-UNI-714a760b-11
0.432
ALE-HEI-f28a35b5-7
0.432
DAR-DIA-03336633-5
0.423
LON-WEI-af038623-1
0.419
MAK-UNK-f2409524-26
0.415
CHA-KIN-ceadbd93-3
0.412
CHA-KIN-ceadbd93-6
0.409
DAR-DIA-03336633-6
0.408
DAR-DIA-03336633-4
0.406
DAR-DIA-03336633-3
0.404
DAR-DIA-03336633-7
0.400
MAK-UNK-f2409524-1
0.400
MAK-UNK-f2409524-20
0.396
MAK-UNK-f2409524-16
0.388
CHA-KIN-ceadbd93-2
0.384
DAR-DIA-03336633-2
0.380
MAK-UNK-f2409524-35
0.378
MAK-UNK-f2409524-24
0.366
MAK-UNK-f2409524-23
0.359
ALE-HEI-f28a35b5-8
0.357
CHA-KIN-6d173bb5-2
0.352
MAK-UNK-f2409524-17
0.348
CHA-KIN-6d173bb5-1
0.342
TRY-UNI-714a760b-7
0.341
TRY-UNI-714a760b-16
0.337
MAK-UNK-f2409524-29
0.333
AAR-POS-d2a4d1df-12
0.333
MAK-UNK-f2409524-25
0.330
DAR-DIA-03336633-11
0.330
MAK-UNK-f2409524-22
0.323
NAU-LAT-3f5f3993-2
0.319
MAT-POS-590ac91e-7
0.318
MAK-UNK-f203cb68-1
0.314
MAK-UNK-f2409524-14
0.311
NAT-WAB-78d8bb1c-2
0.311
ANU-UNK-2781581f-2
0.310
BEN-DND-6de5dfa0-14
0.302
CHA-KIN-ceadbd93-1
0.301
ALE-HEI-f28a35b5-6
0.300
EDG-MED-0da5ad92-4
0.300
DAR-DIA-03336633-12
0.300
TRY-UNI-714a760b-10
0.300
JOH-IMS-d6628593-3
0.299
MAK-UNK-f2409524-7
0.295
MAK-UNK-f203cb68-2
0.294
AAR-UNI-c25c2f1e-3
0.293
DAR-DIA-03336633-9
0.292
CHA-KIN-ceadbd93-5
0.292
MAK-UNK-7264f48c-2
0.291
DAR-DIA-03336633-13
0.290
MED-UNK-e6e8ef8a-1
0.289
SAD-SAT-7d5528d9-2
0.288
CHA-KIN-04ae69e8-1
0.288
MAT-POS-590ac91e-13
0.287
DOU-UNK-b5326f8f-3
0.287
NAM-UNK-f7c77a48-2
0.287
LON-WEI-5e7d1b3e-27
0.284
LON-WEI-4d77710c-27
0.284
MAK-UNK-30aad1f1-4
0.283
MAK-UNK-f2409524-3
0.283
MAK-UNK-6435e6c2-8
0.282
AAR-POS-d2a4d1df-3
0.282
MAR-TRE-74c6519b-57
0.281
THO-SYG-cc9e9a11-5
0.280
MAR-LAB-efb042c5-2
0.279
THO-SYG-cc9e9a11-6
0.277
SIM-SYN-a98e6a07-4
0.277
MAK-UNK-f2409524-6
0.275
MAT-POS-590ac91e-5
0.275
WIL-UNI-5578df48-11
0.274
MAT-POS-590ac91e-14
0.274
NIM-UNI-363644a0-2
0.273
LON-WEI-adc59df6-8
0.273
PET-SGC-a9e9d4f4-1
0.272
JOH-IMS-d6628593-1
0.272
BEN-DND-93268d01-11
0.272
SIM-DEM-2843056b-4
0.271
WAR-XCH-b0339bbe-9
0.270
ALP-POS-95b75b4d-4
0.270
SAM-UNK-2684b532-8
0.269
MAR-TRE-9c797165-24
0.269
CHA-KIN-ceadbd93-4
0.269
MAK-UNK-129dcd6f-6
0.269
MAT-POS-590ac91e-25
0.268