Molecular Properties | |
SMILES: | CC(=O)Nc1cnccc1CCC/C=C(\C)NC1CCCCC1 |
MW: | 315.461 |
Fraction sp3: | 0.58 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 54.02 |
cLogP: | 4.1888 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Enamines
MAK-UNK-f2409524-26
0.628
MAK-UNK-f2409524-2
0.600
MAK-UNK-f2409524-15
0.600
PET-SGC-c429dc17-1
0.577
CES-WAB-18e74d70-1
0.577
MAK-UNK-f2409524-1
0.568
MAK-UNK-f2409524-24
0.483
MAK-UNK-f2409524-21
0.483
MAK-UNK-f2409524-28
0.478
MAK-UNK-f2409524-31
0.451
MAK-UNK-f2409524-33
0.446
MAK-UNK-f2409524-34
0.443
MAK-UNK-f2409524-32
0.442
DAR-DIA-03336633-7
0.426
MAK-UNK-f2409524-29
0.420
DAR-DIA-03336633-5
0.419
DAR-DIA-03336633-6
0.418
DAR-DIA-03336633-1
0.415
HAN-NEW-5f56c3bc-3
0.415
MAK-UNK-f2409524-30
0.410
MAK-UNK-f2409524-20
0.407
MAK-UNK-f2409524-13
0.402
DAR-DIA-03336633-4
0.402
TRY-UNI-714a760b-11
0.392
ALE-HEI-f28a35b5-7
0.392
CHA-KIN-ceadbd93-3
0.390
MAK-UNK-f2409524-25
0.390
MAK-UNK-f2409524-19
0.389
MAK-UNK-f2409524-36
0.389
NAT-WAB-78d8bb1c-2
0.387
DAR-DIA-03336633-3
0.386
MAK-UNK-f2409524-23
0.381
CHA-KIN-ceadbd93-2
0.378
MAK-UNK-f2409524-18
0.376
MAK-UNK-f2409524-35
0.374
MAK-UNK-f2409524-16
0.356
LON-WEI-af038623-1
0.355
JOH-IMS-d6628593-1
0.354
DAR-DIA-03336633-2
0.347
MAK-UNK-f2409524-17
0.342
ALE-HEI-f28a35b5-8
0.333
MAK-UNK-f2409524-22
0.330
AAR-POS-d2a4d1df-12
0.325
DAR-DIA-03336633-9
0.323
MAK-UNK-7264f48c-2
0.323
EDG-MED-0da5ad92-4
0.321
ALE-HEI-f28a35b5-6
0.321
TRY-UNI-714a760b-10
0.321
JOH-IMS-d6628593-3
0.321
DOU-UNK-b5326f8f-3
0.319
ANU-UNK-2781581f-2
0.316
CHA-KIN-ceadbd93-6
0.316
TRY-UNI-714a760b-16
0.314
DAR-DIA-03336633-11
0.310
BEN-DND-6de5dfa0-14
0.308
DAR-DIA-03336633-8
0.307
CHA-KIN-ceadbd93-1
0.307
SAD-SAT-7d5528d9-2
0.306
AAR-POS-d2a4d1df-3
0.306
MAK-UNK-6435e6c2-8
0.306
NAM-UNK-f7c77a48-2
0.304
SAD-SAT-7d5528d9-6
0.303
TRY-UNI-714a760b-7
0.302
CHA-KIN-ceadbd93-5
0.297
NAU-LAT-3f5f3993-2
0.295
MAR-TRE-b77b7921-35
0.295
MAK-UNK-f203cb68-1
0.294
MAT-POS-590ac91e-7
0.294
JOH-IMS-d6628593-2
0.294
MAR-TRE-3159af1a-49
0.293
DAR-DIA-03336633-10
0.291
LON-WEI-adc59df6-8
0.288
MAK-UNK-f203cb68-2
0.286
MAT-POS-590ac91e-25
0.286
CHA-KIN-6d173bb5-2
0.284
SAD-SAT-7d5528d9-35
0.284
MAT-POS-590ac91e-19
0.282
ALP-POS-95b75b4d-10
0.281
SAD-SAT-7d5528d9-25
0.280
EDJ-MED-3c65e9ce-2
0.280
ERI-UCB-5b47150d-6
0.279
MAT-POS-590ac91e-5
0.279
MAK-UNK-f2409524-6
0.279
ALE-HEI-f28a35b5-12
0.277
CHA-KIN-6d173bb5-1
0.277
MAT-POS-590ac91e-12
0.276
MAR-TRE-f6f5f473-76
0.275
CHA-KIN-f512e507-1
0.275
NIM-NMI-8bb27a2b-15
0.274
CHA-KIN-ceadbd93-4
0.273
MIC-UNK-ea979c74-4
0.273
MAT-POS-590ac91e-24
0.273
CHO-MSK-6e55470f-2
0.271
SAD-SAT-24589cd1-9
0.271
MAT-POS-590ac91e-8
0.270
DAR-DIA-03336633-13
0.269
MAR-TRE-f6f5f473-98
0.269
CHA-KIN-f512e507-2
0.269
NAT-WAB-78d8bb1c-1
0.269
MAK-UNK-6ca90168-27
0.269