Molecular Properties | |
SMILES: | CC(=O)Nc1cnccc1CCC/N=C/NC1CCCCC1 |
MW: | 302.422 |
Fraction sp3: | 0.59 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 66.38 |
cLogP: | 2.9232 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
imine
imine
Unbranched chain
MAK-UNK-f2409524-26
0.620
MAK-UNK-f2409524-2
0.593
MAK-UNK-f2409524-27
0.568
MAK-UNK-f2409524-15
0.536
CES-WAB-18e74d70-1
0.512
PET-SGC-c429dc17-1
0.512
MAK-UNK-f2409524-24
0.478
MAK-UNK-f2409524-21
0.430
MAK-UNK-f2409524-29
0.430
MAK-UNK-f2409524-28
0.411
DAR-DIA-03336633-6
0.400
MAK-UNK-f2409524-31
0.400
NAT-WAB-78d8bb1c-2
0.398
MAK-UNK-f2409524-33
0.396
MAK-UNK-f2409524-32
0.394
MAK-UNK-f2409524-25
0.386
MAK-UNK-f2409524-34
0.382
MAK-UNK-f2409524-23
0.378
CHA-KIN-ceadbd93-2
0.373
DAR-DIA-03336633-5
0.371
CHA-KIN-ceadbd93-3
0.369
DAR-DIA-03336633-1
0.367
HAN-NEW-5f56c3bc-3
0.367
MAK-UNK-f2409524-30
0.365
DAR-DIA-03336633-7
0.364
MAK-UNK-f2409524-20
0.356
TRY-UNI-714a760b-11
0.354
ALE-HEI-f28a35b5-7
0.354
MAK-UNK-f2409524-36
0.348
MAK-UNK-f2409524-18
0.344
DAR-DIA-03336633-3
0.343
MAK-UNK-f2409524-19
0.340
MAK-UNK-f2409524-35
0.336
DAR-DIA-03336633-4
0.333
JOH-IMS-d6628593-1
0.333
MAK-UNK-f2409524-16
0.327
MAK-UNK-f2409524-22
0.326
TRY-UNI-714a760b-16
0.326
BEN-DND-6de5dfa0-14
0.319
TRY-UNI-714a760b-10
0.318
ALE-HEI-f28a35b5-6
0.318
EDG-MED-0da5ad92-4
0.318
SAD-SAT-7d5528d9-2
0.316
CHA-KIN-ceadbd93-6
0.312
ANU-UNK-2781581f-2
0.312
LON-WEI-af038623-1
0.309
DAR-DIA-03336633-9
0.307
DAR-DIA-03336633-11
0.307
MAK-UNK-7264f48c-2
0.306
MAK-UNK-f2409524-17
0.304
MAK-UNK-f203cb68-1
0.304
CHA-KIN-ceadbd93-1
0.303
MAK-UNK-6435e6c2-8
0.301
AAR-POS-d2a4d1df-3
0.301
JOH-IMS-d6628593-3
0.301
MAK-UNK-f203cb68-2
0.296
MAT-POS-590ac91e-19
0.294
CHA-KIN-6d173bb5-2
0.294
CHA-KIN-ceadbd93-5
0.293
EDJ-MED-3c65e9ce-4
0.292
DAR-DIA-03336633-2
0.291
DAR-DIA-03336633-8
0.291
MAT-POS-590ac91e-7
0.291
DOU-UNK-b5326f8f-3
0.289
BEN-DND-93268d01-11
0.287
BEN-DND-6de5dfa0-15
0.287
CHA-KIN-6d173bb5-1
0.286
CHA-KIN-f512e507-1
0.284
LON-WEI-0a73fcb8-7
0.284
TRY-UNI-714a760b-7
0.284
CHA-KIN-ceadbd93-4
0.283
ALE-HEI-f28a35b5-8
0.282
TRY-UNI-2eddb1ff-2
0.281
EDG-MED-0da5ad92-8
0.281
CHO-MSK-6e55470f-2
0.280
MAT-POS-590ac91e-6
0.279
NAT-WAB-78d8bb1c-1
0.279
CHA-KIN-f512e507-2
0.279
NAU-LAT-3f5f3993-2
0.278
EDJ-MED-3c65e9ce-2
0.277
DAR-DIA-03336633-10
0.276
MAT-POS-590ac91e-5
0.276
AAR-POS-d2a4d1df-12
0.276
MED-UNK-e6e8ef8a-1
0.276
SAD-SAT-7d5528d9-6
0.275
ALE-HEI-f28a35b5-12
0.274
CHA-KIN-f512e507-3
0.274
BEN-DND-09b88bf4-5
0.273
BEN-DND-93268d01-9
0.273
RIT-AID-b8bd8251-1
0.273
EDG-MED-0da5ad92-9
0.272
NIM-NMI-8bb27a2b-15
0.271
JAG-UCB-a3ef7265-3
0.270
BEN-DND-93268d01-10
0.270
MAT-POS-590ac91e-24
0.270
SAD-SAT-7d5528d9-35
0.269
MAT-POS-590ac91e-25
0.269
MAR-TRE-74c6519b-57
0.269
SID-ELM-2583a2cd-21
0.268
THO-SYG-cc9e9a11-5
0.268