Molecular Properties | |
SMILES: | Cc1ccncc1C(NC(=O)CC1CC1)C(=O)NCc1cccc(C#N)c1 |
MW: | 362.17 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 94.88 |
cLogP: | 2.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Dipeptide
MIC-UNK-2744a8e2-13
0.663
MIC-UNK-1e397c67-1
0.663
MIC-UNK-2744a8e2-2
0.468
MIC-UNK-2744a8e2-11
0.460
MIC-UNK-2744a8e2-3
0.459
MIC-UNK-2744a8e2-5
0.446
MIC-UNK-2744a8e2-14
0.442
MIC-UNK-2744a8e2-10
0.437
MIC-UNK-2744a8e2-12
0.437
MIC-UNK-2744a8e2-8
0.431
MIC-UNK-2744a8e2-6
0.427
MIC-UNK-2744a8e2-7
0.419
MIC-UNK-2744a8e2-9
0.419
TRY-UNI-714a760b-20
0.418
MIC-UNK-2744a8e2-4
0.406
TRY-UNI-1fd04853-6
0.350
MAK-UNK-10dfa458-41
0.344
SAD-SAT-24589cd1-10
0.343
GAB-REV-70cc3ca5-19
0.340
SAD-SAT-24589cd1-9
0.339
TRY-UNI-714a760b-24
0.337
AAR-UNI-c25c2f1e-56
0.333
SAD-SAT-24589cd1-5
0.333
MIC-UNK-e8a42ca9-2
0.330
SAD-SAT-24589cd1-1
0.330
SAD-SAT-24589cd1-3
0.330
ANN-UNI-26382800-5
0.330
MIH-UNI-6b9ca91a-5
0.330
MAK-UNK-10dfa458-40
0.326
ALP-POS-95b75b4d-12
0.324
TRY-UNI-714a760b-22
0.323
SAD-SAT-24589cd1-8
0.323
MAK-UNK-748f8b7a-6
0.321
TRY-UNI-2eddb1ff-1
0.320
DAR-DIA-23aa0b97-4
0.319
AAR-UNI-c25c2f1e-74
0.317
RAL-THA-2d450e86-12
0.317
TRY-UNI-9f475305-1
0.315
ALP-POS-95b75b4d-13
0.314
ALP-POS-95b75b4d-4
0.310
TRY-UNI-714a760b-19
0.310
MIC-UNK-e8a42ca9-1
0.310
MIC-UNK-df342a3f-2
0.309
SAD-SAT-24589cd1-6
0.309
MAT-POS-590ac91e-14
0.302
MAK-UNK-10dfa458-42
0.302
TRY-UNI-1fd04853-1
0.301
PET-SGC-175e168c-1
0.301
MAK-UNK-748f8b7a-9
0.300
THO-SYG-cc9e9a11-3
0.300
DAR-DIA-0cde14eb-14
0.295
TRY-UNI-2eddb1ff-6
0.295
RAL-THA-901e9a10-3
0.295
PAT-UNK-b2d83456-1
0.293
JOR-UNI-61e7b1d5-9
0.292
THO-SYG-cc9e9a11-4
0.291
JOR-UNI-61e7b1d5-22
0.289
DAR-DIA-23aa0b97-19
0.288
TRY-UNI-bbd40bb4-2
0.288
MAT-POS-590ac91e-23
0.287
ALE-HEI-f28a35b5-6
0.287
EDG-MED-0da5ad92-4
0.287
TRY-UNI-714a760b-10
0.287
PET-SGC-276eba5a-1
0.287
DAR-DIA-03336633-4
0.286
EDG-MED-0da5ad92-9
0.286
DAR-DIA-48c639f7-10
0.283
JOR-UNI-61e7b1d5-5
0.283
TRY-UNI-9f475305-12
0.282
DAR-DIA-23aa0b97-3
0.280
TRY-UNI-9f475305-6
0.279
MAK-UNK-f203cb68-10
0.279
BRU-LEF-c49414a7-1
0.278
RAL-THA-901e9a10-7
0.278
MAK-UNK-f203cb68-19
0.278
MAT-POS-590ac91e-5
0.277
JOR-UNI-61e7b1d5-2
0.274
WAR-XCH-eb7b662f-1
0.274
DAR-DIA-23aa0b97-5
0.274
ANN-UNI-26382800-4
0.274
MED-UNK-e6e8ef8a-3
0.274
MAR-TRE-9d18ae8c-34
0.271
ASH-SAT-43770c7d-9
0.270
TRY-UNI-1fd04853-2
0.269
DAR-DIA-0cde14eb-2
0.269
DAR-DIA-23aa0b97-18
0.269
SAD-SAT-7d5528d9-1
0.269
JOH-UNI-abfda500-6
0.268
ANN-UNI-98d2bf15-1
0.268
MAT-POS-ee51dedd-1
0.268
MAT-POS-590ac91e-15
0.268
JOR-UNI-61e7b1d5-20
0.268
DAR-DIA-48c639f7-16
0.268
ALP-POS-95b75b4d-3
0.267
ALP-POS-95b75b4d-9
0.267
DAR-DIA-0cde14eb-76
0.267
JAN-GHE-83b26c96-14
0.267
DAR-DIA-0cde14eb-3
0.267
ALF-EVA-46063d6e-5
0.267
DAR-DIA-0cde14eb-9
0.267