Molecular Properties | |
SMILES: | Cc1ccncc1C(NC(=O)NCCNC(=N)N)C(=O)Nc1cccc(C#N)c1 |
MW: | 394.19 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 6 |
Rotatable Bonds: | 7 |
TPSA: | 168.81 |
cLogP: | 0.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
imine
imine
Imine 3
Long aliphatic chain
Dipeptide
MIC-UNK-2744a8e2-7
0.795
MIC-UNK-2744a8e2-2
0.769
MIC-UNK-2744a8e2-6
0.750
MIC-UNK-2744a8e2-9
0.733
MIC-UNK-2744a8e2-14
0.724
MIC-UNK-2744a8e2-3
0.682
MIC-UNK-2744a8e2-11
0.659
MIC-UNK-2744a8e2-13
0.625
MIC-UNK-1e397c67-1
0.625
MIC-UNK-2744a8e2-12
0.609
MIC-UNK-2744a8e2-4
0.607
MIC-UNK-2744a8e2-10
0.591
MIC-UNK-2744a8e2-5
0.553
TRY-UNI-714a760b-24
0.460
MIC-UNK-2744a8e2-1
0.431
WAR-XCH-eb7b662f-1
0.391
JOR-UNI-61e7b1d5-2
0.391
ANN-UNI-26382800-4
0.391
DAR-DIA-23aa0b97-5
0.391
TRY-UNI-714a760b-23
0.383
DAR-DIA-23aa0b97-4
0.378
TRY-UNI-9f475305-10
0.375
DAR-DIA-23aa0b97-8
0.363
DAR-DIA-23aa0b97-3
0.347
ANN-UNI-26382800-6
0.344
DAR-DIA-03336633-4
0.342
TRY-UNI-714a760b-22
0.337
DAR-DIA-23aa0b97-18
0.330
TRY-UNI-714a760b-20
0.330
DAR-DIA-23aa0b97-19
0.327
MAK-UNK-c749d764-9
0.327
DAR-DIA-23aa0b97-11
0.324
AAR-UNI-c25c2f1e-74
0.317
DAR-DIA-0cde14eb-9
0.317
GAB-REV-70cc3ca5-19
0.314
CHR-SOS-363cfb78-2
0.312
DAR-DIA-23aa0b97-1
0.311
NIM-UNI-310206f0-21
0.308
MAK-UNK-6ca90168-25
0.304
NAU-LAT-4ce8bf23-3
0.299
TRY-UNI-714a760b-12
0.295
JAG-UCB-cedd89ab-8
0.295
JOR-UNI-61e7b1d5-7
0.292
MAK-UNK-f203cb68-10
0.291
ANN-UNI-26382800-5
0.289
ALP-POS-95b75b4d-13
0.288
DAR-DIA-2b784ede-32
0.288
TAT-ENA-80bfd3e5-10
0.287
DAR-DIA-2b784ede-2
0.287
ALP-POS-95b75b4d-12
0.286
MAK-UNK-30aad1f1-8
0.286
SAD-SAT-24589cd1-8
0.284
DAR-DIA-0cde14eb-7
0.284
TRY-UNI-1fd04853-2
0.282
CHR-SOS-6c45c019-11
0.282
AAR-UNI-c25c2f1e-56
0.282
ALE-HEI-f28a35b5-11
0.281
TRY-UNI-2eddb1ff-1
0.280
DAR-DIA-2b784ede-1
0.279
WAR-XCH-eb7b662f-2
0.278
MAR-TRE-2fd8122f-57
0.278
EDJ-MED-49816e9b-1
0.278
NAU-LAT-4ce8bf23-1
0.277
DAR-DIA-2b784ede-3
0.275
WAR-XCH-6eb0722e-1
0.275
ALE-HEI-f28a35b5-13
0.275
DAR-DIA-0cde14eb-5
0.275
MIC-UNK-df342a3f-2
0.274
ADA-UNI-f8e79267-10
0.274
DAN-MCD-02570321-1
0.274
DAR-DIA-48c639f7-10
0.273
MAR-TRE-2fd8122f-69
0.273
DAR-DIA-2b784ede-36
0.272
MIC-UNK-e8a42ca9-2
0.272
DAR-DIA-0cde14eb-6
0.272
DAR-DIA-0cde14eb-8
0.272
CHR-SOS-6c45c019-5
0.271
JOH-UNI-c7afdb96-13
0.271
TRY-UNI-1fd04853-3
0.270
MAK-UNK-30aad1f1-6
0.270
ASH-SAT-43770c7d-9
0.270
PET-UNK-bbe8d7ff-2
0.269
JOR-UNI-61e7b1d5-9
0.269
EDG-MED-0da5ad92-5
0.267
SAD-SAT-24589cd1-5
0.267
ANN-UNI-98d2bf15-2
0.267
JOR-UNI-61e7b1d5-22
0.267
TRY-UNI-714a760b-21
0.267
SAD-SAT-cefd50cc-10
0.267
SAD-SAT-24589cd1-3
0.267
SAD-SAT-24589cd1-1
0.267
DAR-DIA-2b784ede-5
0.266
MAK-UNK-f203cb68-19
0.266
WAR-XCH-6eb0722e-3
0.265
THO-SYG-cc9e9a11-3
0.265
MIC-UNK-e8a42ca9-1
0.265
DAR-DIA-2b784ede-23
0.265
EDG-MED-0da5ad92-11
0.265
MAR-TRE-92684b97-89
0.265
JAN-GHE-83b26c96-20
0.265