Molecular Properties | |
SMILES: | CC(=O)Nc1cnccc1Oc1ccccc1NCCNC(=O)NC1CCCCC1 |
MW: | 411.506 |
Fraction sp3: | 0.41 |
HBA: | 5 |
HBD: | 4 |
Rotatable Bonds: | 8 |
TPSA: | 104.38 |
cLogP: | 3.8761 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
CES-WAB-18e74d70-1
0.489
PET-SGC-c429dc17-1
0.489
MAK-UNK-f2409524-15
0.479
MAK-UNK-f2409524-18
0.463
DAR-DIA-03336633-2
0.430
MAK-UNK-f2409524-33
0.426
MAK-UNK-f2409524-36
0.412
DAR-DIA-03336633-1
0.412
HAN-NEW-5f56c3bc-3
0.412
MAK-UNK-f2409524-32
0.410
DAR-DIA-03336633-7
0.408
AAR-POS-d2a4d1df-12
0.407
LON-WEI-af038623-1
0.398
MAK-UNK-f2409524-17
0.391
ALE-HEI-f28a35b5-7
0.391
TRY-UNI-714a760b-11
0.391
MAK-UNK-f2409524-31
0.388
DAR-DIA-03336633-5
0.388
MAK-UNK-f2409524-19
0.388
DAR-DIA-03336633-6
0.376
DAR-DIA-03336633-4
0.375
MAK-UNK-f2409524-20
0.375
MAK-UNK-f2409524-35
0.374
MAK-UNK-f2409524-34
0.373
DAR-DIA-03336633-3
0.373
MAK-UNK-f2409524-21
0.362
MAK-UNK-f2409524-3
0.361
MAK-UNK-f2409524-27
0.356
MAK-UNK-f2409524-2
0.350
PET-SGC-a9e9d4f4-1
0.339
ALE-HEI-f28a35b5-8
0.337
MAK-UNK-f2409524-37
0.336
MAK-UNK-f2409524-1
0.327
MAK-UNK-f2409524-26
0.327
MAK-UNK-f2409524-4
0.324
TRY-UNI-714a760b-7
0.323
MAK-UNK-f2409524-30
0.322
MAK-UNK-f2409524-28
0.321
MAK-UNK-f2409524-14
0.321
AAR-UNI-c25c2f1e-3
0.317
BAR-COM-5694a99d-2
0.314
MAK-UNK-f2409524-7
0.306
MAK-UNK-f2409524-22
0.293
SAM-UNK-2684b532-8
0.292
NAU-LAT-3f5f3993-2
0.289
CHA-KIN-ceadbd93-3
0.289
BEN-DND-6de5dfa0-14
0.287
AAR-UNI-c25c2f1e-69
0.287
DOU-UNK-b5326f8f-3
0.286
MAK-UNK-f2409524-6
0.286
ALE-HEI-f28a35b5-6
0.284
TRY-UNI-714a760b-10
0.284
EDG-MED-0da5ad92-4
0.284
NIM-UNI-363644a0-2
0.282
JIN-POS-6dc588a4-6
0.282
MAR-TRE-74c6519b-57
0.280
BEN-DND-6de5dfa0-21
0.280
SAD-SAT-7d5528d9-35
0.279
CHA-KIN-ceadbd93-2
0.278
TRY-UNI-714a760b-16
0.278
MAK-UNK-f2409524-24
0.277
DAR-DIA-03336633-13
0.277
MAR-TRE-b77b7921-35
0.276
AAR-UNI-c25c2f1e-96
0.276
MAK-UNK-f2409524-29
0.275
ZAC-WAB-b0242612-1
0.275
NAM-UNK-f7c77a48-2
0.274
SIM-DEM-2843056b-6
0.274
MAK-UNK-f2409524-13
0.273
MAR-UCB-f313ec4d-4
0.273
MAK-UNK-b2c98f02-2
0.272
MAK-UNK-f2409524-23
0.272
MAR-TRE-3e4e6814-82
0.272
ALE-HEI-f28a35b5-13
0.272
MAK-UNK-f2409524-25
0.271
WIL-UNI-5578df48-13
0.271
CHA-KIN-ceadbd93-6
0.271
SIM-DEM-f31d0e65-1
0.269
SIM-DEM-2843056b-2
0.265
AAR-POS-d2a4d1df-3
0.265
MAK-UNK-6435e6c2-8
0.265
JIN-POS-6dc588a4-3
0.265
MAR-TRE-3159af1a-49
0.264
BAR-COM-4e090d3a-26
0.264
MAK-UNK-a7992eb3-8
0.264
MAT-POS-590ac91e-19
0.263
NIC-UNI-f08e2453-2
0.263
BAR-COM-0f94fc3d-54
0.261
LON-WEI-adc59df6-8
0.261
CHA-KIN-f512e507-3
0.261
MAT-POS-590ac91e-7
0.260
LON-WEI-5e7d1b3e-27
0.259
LON-WEI-4d77710c-27
0.259
CHA-KIN-f512e507-1
0.259
SIM-DEM-2843056b-4
0.259
CHA-KIN-6d173bb5-2
0.258
JAN-GHE-76def03c-1
0.256
MAK-UNK-129dcd6f-6
0.255
MAR-LAB-efb042c5-2
0.255
MAR-TRE-f6f5f473-98
0.254