Molecular Properties | |
SMILES: | Cc1ccncc1C(NC(=O)CCCNC(=N)N)C(=O)Nc1cccc(C#N)c1 |
MW: | 393.19 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 5 |
Rotatable Bonds: | 8 |
TPSA: | 156.78 |
cLogP: | 1.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
imine
imine
Imine 3
Long aliphatic chain
Dipeptide
MIC-UNK-2744a8e2-11
0.807
MIC-UNK-2744a8e2-12
0.747
MIC-UNK-2744a8e2-10
0.727
MIC-UNK-2744a8e2-8
0.724
MIC-UNK-2744a8e2-7
0.719
MIC-UNK-2744a8e2-13
0.652
MIC-UNK-1e397c67-1
0.652
MIC-UNK-2744a8e2-2
0.651
MIC-UNK-2744a8e2-6
0.641
MIC-UNK-2744a8e2-9
0.628
MIC-UNK-2744a8e2-3
0.598
MIC-UNK-2744a8e2-4
0.562
MIC-UNK-2744a8e2-5
0.515
MIC-UNK-2744a8e2-1
0.442
TRY-UNI-714a760b-24
0.424
DAR-DIA-23aa0b97-4
0.376
TRY-UNI-714a760b-23
0.367
WAR-XCH-eb7b662f-1
0.359
ANN-UNI-26382800-4
0.359
DAR-DIA-23aa0b97-5
0.359
JOR-UNI-61e7b1d5-2
0.359
DAR-DIA-23aa0b97-3
0.347
TRY-UNI-9f475305-10
0.347
DAR-DIA-23aa0b97-18
0.343
GAB-REV-70cc3ca5-19
0.340
TRY-UNI-714a760b-22
0.337
DAR-DIA-23aa0b97-8
0.333
AAR-UNI-c25c2f1e-74
0.330
TRY-UNI-714a760b-20
0.330
DAR-DIA-23aa0b97-19
0.327
MAK-UNK-c749d764-9
0.327
DAR-DIA-23aa0b97-1
0.324
ANN-UNI-26382800-6
0.316
DAR-DIA-03336633-4
0.308
DAR-DIA-23aa0b97-11
0.299
NIM-UNI-310206f0-21
0.298
JOR-UNI-61e7b1d5-7
0.294
MAR-TRE-2fd8122f-57
0.293
DAR-DIA-0cde14eb-9
0.292
MAK-UNK-6ca90168-25
0.292
ANN-UNI-26382800-5
0.290
DAR-DIA-2b784ede-32
0.289
DAR-DIA-2b784ede-2
0.288
CHR-SOS-363cfb78-2
0.287
ALP-POS-95b75b4d-12
0.287
SAD-SAT-24589cd1-8
0.286
ALE-HEI-f28a35b5-11
0.283
SAD-SAT-24589cd1-5
0.282
TRY-UNI-2eddb1ff-1
0.282
PET-SGC-6e7c5dc0-1
0.281
MAK-UNK-f203cb68-10
0.281
DAR-DIA-2b784ede-1
0.281
SAD-SAT-24589cd1-1
0.280
DAR-DIA-2b784ede-5
0.279
ALP-POS-95b75b4d-13
0.278
DAR-DIA-2b784ede-3
0.277
NAU-LAT-4ce8bf23-3
0.277
TAT-ENA-80bfd3e5-10
0.276
MIC-UNK-df342a3f-2
0.276
MAR-TRE-2fd8122f-69
0.275
DAR-DIA-2b784ede-36
0.273
TRY-UNI-9f475305-12
0.273
ALE-HEI-f28a35b5-10
0.273
JOH-UNI-c7afdb96-13
0.273
DAR-DIA-2b784ede-6
0.273
ASH-SAT-43770c7d-9
0.272
SAD-SAT-24589cd1-9
0.271
JOR-UNI-61e7b1d5-22
0.269
TRY-UNI-714a760b-21
0.269
SAD-SAT-24589cd1-3
0.269
EDJ-MED-49816e9b-1
0.267
THO-SYG-cc9e9a11-3
0.267
DAR-DIA-2b784ede-23
0.267
MAR-TRE-92684b97-89
0.267
TRY-UNI-1fd04853-1
0.266
PET-SGC-175e168c-1
0.266
WAR-XCH-6eb0722e-1
0.265
AAR-UNI-c25c2f1e-102
0.265
JOR-UNI-61e7b1d5-12
0.265
MAK-UNK-748f8b7a-6
0.265
DAR-DIA-0cde14eb-5
0.264
DAR-DIA-48c639f7-10
0.264
DAR-DIA-2b784ede-4
0.264
ALE-HEI-f28a35b5-12
0.263
SAD-SAT-24589cd1-10
0.263
JOR-UNI-61e7b1d5-14
0.263
MIC-UNK-e8a42ca9-2
0.263
JOR-UNI-61e7b1d5-5
0.263
JOH-IMS-d6628593-4
0.262
DAR-DIA-0cde14eb-7
0.262
TRY-UNI-714a760b-19
0.262
TRY-UNI-1fd04853-3
0.261
DAR-DIA-2b784ede-22
0.261
DAR-DIA-2b784ede-11
0.260
MAR-TRE-7f7bb9f0-49
0.260
DAR-DIA-48c639f7-16
0.260
TRY-UNI-1fd04853-2
0.259
DAR-DIA-2b784ede-31
0.259
UNK-UNK-2ede4078-87
0.259
THO-SYG-cc9e9a11-4
0.259