Molecular Properties | |
SMILES: | CC(=O)Nc1cnccc1CCC/N=C(\N)NC1CCCCC1 |
MW: | 317.437 |
Fraction sp3: | 0.59 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 92.4 |
cLogP: | 2.2096 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
imine
imine
MAK-UNK-f2409524-27
0.600
MAK-UNK-f2409524-1
0.593
MAK-UNK-f2409524-15
0.585
PET-SGC-c429dc17-1
0.562
CES-WAB-18e74d70-1
0.562
MAK-UNK-f2409524-26
0.536
MAK-UNK-f2409524-24
0.506
MAK-UNK-f2409524-32
0.463
MAK-UNK-f2409524-21
0.457
MAK-UNK-f2409524-33
0.452
MAK-UNK-f2409524-28
0.452
MAK-UNK-f2409524-31
0.441
MAK-UNK-f2409524-34
0.434
MAK-UNK-f2409524-29
0.426
MAK-UNK-f2409524-30
0.416
DAR-DIA-03336633-5
0.411
DAR-DIA-03336633-6
0.410
HAN-NEW-5f56c3bc-3
0.406
DAR-DIA-03336633-1
0.406
MAK-UNK-f2409524-23
0.402
DAR-DIA-03336633-7
0.402
MAK-UNK-f2409524-20
0.398
MAK-UNK-f2409524-25
0.396
MAK-UNK-f2409524-19
0.396
NAT-WAB-78d8bb1c-2
0.394
TRY-UNI-714a760b-11
0.383
ALE-HEI-f28a35b5-7
0.383
MAK-UNK-f2409524-36
0.382
CHA-KIN-ceadbd93-3
0.381
DAR-DIA-03336633-3
0.379
CHA-KIN-ceadbd93-2
0.369
MAK-UNK-f2409524-18
0.368
DAR-DIA-03336633-4
0.368
MAK-UNK-f2409524-35
0.368
MAK-UNK-f2409524-16
0.350
MAK-UNK-f2409524-17
0.336
LON-WEI-af038623-1
0.333
BEN-DND-6de5dfa0-14
0.330
DAR-DIA-03336633-2
0.327
ALE-HEI-f28a35b5-8
0.325
MAK-UNK-f2409524-22
0.322
TRY-UNI-714a760b-16
0.322
CHA-KIN-ceadbd93-1
0.315
EDG-MED-0da5ad92-4
0.314
TRY-UNI-714a760b-10
0.314
JOH-IMS-d6628593-1
0.314
ALE-HEI-f28a35b5-6
0.314
TRY-UNI-714a760b-7
0.310
ANU-UNK-2781581f-2
0.309
CHA-KIN-ceadbd93-6
0.309
DAR-DIA-03336633-9
0.304
DAR-DIA-03336633-11
0.304
NAU-LAT-3f5f3993-2
0.303
MAK-UNK-7264f48c-2
0.303
CHA-KIN-6d173bb5-2
0.303
AAR-POS-d2a4d1df-12
0.302
SAD-SAT-7d5528d9-2
0.300
DOU-UNK-b5326f8f-3
0.299
MAT-POS-590ac91e-12
0.299
AAR-POS-d2a4d1df-3
0.297
MAK-UNK-6435e6c2-8
0.297
CHA-KIN-f512e507-1
0.294
LON-WEI-0a73fcb8-7
0.294
JAG-UCB-a3ef7265-3
0.293
PET-SGC-6e7c5dc0-1
0.291
MAT-POS-590ac91e-19
0.291
CHA-KIN-ceadbd93-5
0.290
MAR-TRE-b77b7921-35
0.289
MAK-UNK-f203cb68-1
0.288
CHA-KIN-f512e507-2
0.288
DAR-DIA-03336633-8
0.288
MAT-POS-590ac91e-7
0.287
MAR-TRE-3159af1a-49
0.287
NAM-UNK-f7c77a48-2
0.286
CHA-KIN-6d173bb5-1
0.283
JOH-IMS-d6628593-3
0.282
CHA-KIN-cd2ef30b-1
0.282
MAR-TRE-f6f5f473-76
0.282
MAK-UNK-f203cb68-2
0.280
SAD-SAT-7d5528d9-35
0.279
CHO-MSK-6e55470f-2
0.277
MAT-POS-590ac91e-18
0.276
AAR-UNI-c25c2f1e-96
0.276
THO-SYG-cc9e9a11-6
0.276
DAR-DIA-03336633-12
0.275
DAR-DIA-03336633-10
0.274
MAK-UNK-f2409524-6
0.274
ERI-UCB-5b47150d-6
0.273
MED-UNK-e6e8ef8a-1
0.273
WIL-MOD-03b86a88-3
0.273
LON-WEI-adc59df6-8
0.271
CHA-KIN-f512e507-3
0.271
MIC-UNK-ea979c74-3
0.270
MAT-POS-590ac91e-22
0.270
EDG-MED-0da5ad92-9
0.269
MIC-UNK-ea979c74-4
0.268
CHA-KIN-ceadbd93-4
0.267
MAT-POS-ea426761-47
0.267
CHO-MSK-6e55470f-7
0.267
MAT-POS-590ac91e-4
0.267