Molecular Properties | |
SMILES: | Cc1ccncc1C(NC(=O)NCCCC(=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: | 1.96 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
imine
imine
acyclic C=N-H
Imine 3
Long aliphatic chain
Dipeptide
MIC-UNK-2744a8e2-8
0.795
MIC-UNK-2744a8e2-6
0.786
MIC-UNK-2744a8e2-9
0.767
MIC-UNK-2744a8e2-2
0.741
MIC-UNK-2744a8e2-14
0.719
MIC-UNK-2744a8e2-11
0.713
MIC-UNK-2744a8e2-3
0.640
MIC-UNK-2744a8e2-10
0.606
MIC-UNK-2744a8e2-12
0.606
MIC-UNK-1e397c67-1
0.604
MIC-UNK-2744a8e2-13
0.604
MIC-UNK-2744a8e2-4
0.568
MIC-UNK-2744a8e2-5
0.536
TRY-UNI-714a760b-24
0.461
MIC-UNK-2744a8e2-1
0.419
DAR-DIA-23aa0b97-5
0.378
ANN-UNI-26382800-4
0.378
WAR-XCH-eb7b662f-1
0.378
JOR-UNI-61e7b1d5-2
0.378
TRY-UNI-714a760b-23
0.371
DAR-DIA-23aa0b97-4
0.366
DAR-DIA-23aa0b97-8
0.351
TRY-UNI-9f475305-10
0.350
DAR-DIA-23aa0b97-3
0.337
DAR-DIA-03336633-4
0.333
ANN-UNI-26382800-6
0.333
TRY-UNI-714a760b-22
0.327
DAR-DIA-0cde14eb-9
0.320
TRY-UNI-714a760b-20
0.320
DAR-DIA-23aa0b97-19
0.317
GAB-REV-70cc3ca5-19
0.317
MAK-UNK-c749d764-9
0.317
CHR-SOS-363cfb78-2
0.316
DAR-DIA-23aa0b97-11
0.314
AAR-UNI-c25c2f1e-74
0.308
JOR-UNI-61e7b1d5-7
0.308
DAR-DIA-23aa0b97-18
0.308
DAR-DIA-23aa0b97-1
0.302
NIM-UNI-310206f0-21
0.300
TRY-UNI-714a760b-12
0.299
ALE-HEI-f28a35b5-11
0.299
JAG-UCB-cedd89ab-8
0.299
TRY-UNI-1fd04853-3
0.297
MAK-UNK-6ca90168-25
0.295
NAU-LAT-4ce8bf23-3
0.291
DAR-DIA-0cde14eb-7
0.288
TRY-UNI-1fd04853-2
0.286
PET-SGC-6e7c5dc0-1
0.284
MAK-UNK-f203cb68-10
0.283
ALP-POS-95b75b4d-13
0.280
ANN-UNI-26382800-5
0.280
DAR-DIA-2b784ede-2
0.279
WAR-XCH-6eb0722e-1
0.279
DAR-DIA-0cde14eb-5
0.279
TAT-ENA-80bfd3e5-10
0.279
MAK-UNK-30aad1f1-8
0.278
ALP-POS-95b75b4d-12
0.278
TRY-UNI-714a760b-4
0.277
ALE-HEI-f28a35b5-1
0.277
DAR-DIA-48c639f7-10
0.276
DAR-DIA-0cde14eb-6
0.276
DAR-DIA-0cde14eb-8
0.276
SAD-SAT-24589cd1-8
0.276
MAK-UNK-30aad1f1-6
0.274
AAR-UNI-c25c2f1e-56
0.274
TRY-UNI-2eddb1ff-1
0.272
JOR-UNI-61e7b1d5-22
0.271
SAD-SAT-cefd50cc-10
0.271
SAD-SAT-24589cd1-1
0.271
EDJ-MED-49816e9b-1
0.270
WAR-XCH-eb7b662f-2
0.270
MAR-TRE-2fd8122f-57
0.270
DAR-DIA-2b784ede-32
0.270
WAR-XCH-6eb0722e-3
0.270
NAU-LAT-4ce8bf23-1
0.270
MAR-TRE-92684b97-89
0.269
DAR-DIA-48c639f7-9
0.268
DAR-DIA-2b784ede-3
0.268
MIC-UNK-df342a3f-2
0.267
JOR-UNI-61e7b1d5-12
0.267
ADA-UNI-f8e79267-10
0.266
ALE-HEI-f28a35b5-13
0.266
MAK-UNK-30aad1f1-4
0.265
JOR-UNI-61e7b1d5-5
0.265
JOR-UNI-61e7b1d5-14
0.265
MIC-UNK-e8a42ca9-2
0.265
MAR-TRE-2fd8122f-69
0.265
SIM-DEM-f31d0e65-1
0.264
DAR-DIA-2b784ede-6
0.264
JOH-UNI-c7afdb96-13
0.263
DAR-DIA-0cde14eb-69
0.262
PET-UNK-bbe8d7ff-2
0.262
CHR-SOS-6c45c019-11
0.262
DAR-DIA-48c639f7-16
0.262
THO-SYG-cc9e9a11-4
0.261
DAR-DIA-2b784ede-1
0.261
ASH-SAT-43770c7d-9
0.261
ANN-UNI-98d2bf15-2
0.260
ALP-POS-f13221e1-4
0.260
SAD-SAT-24589cd1-5
0.260