Molecular Properties | |
SMILES: | CCNc1cc(NC(=O)CNC(=O)Nc2cccnc2)c(C#N)cn1 |
MW: | 339.359 |
Fraction sp3: | 0.19 |
HBA: | 6 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 131.83 |
cLogP: | 1.54028 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Dipeptide
MAK-UNK-51bb34f9-2
0.632
JOR-UNI-61e7b1d5-1
0.433
WAR-XCH-eb7b662f-2
0.407
CHR-SOS-363cfb78-1
0.393
JOR-UNI-61e7b1d5-2
0.388
WAR-XCH-eb7b662f-1
0.388
DAR-DIA-23aa0b97-5
0.388
ANN-UNI-26382800-4
0.388
BEN-VAN-ed886787-13
0.380
ALE-HEI-f28a35b5-15
0.375
ANN-UNI-26382800-3
0.373
JOH-UNK-14e6adc5-2
0.373
BEN-VAN-ed886787-11
0.373
MAK-UNK-30aad1f1-7
0.367
MAK-UNK-30aad1f1-6
0.366
MAK-UNK-d1e89583-6
0.364
WIL-UNI-5578df48-19
0.363
MAK-UNK-30aad1f1-12
0.362
MAK-UNK-d1e89583-1
0.361
MAK-UNK-30aad1f1-8
0.361
MAK-UNK-10dfa458-24
0.361
WAR-XCH-eb7b662f-6
0.357
CHR-SOS-363cfb78-3
0.357
SAD-SAT-135344c3-8
0.356
MAK-UNK-d1e89583-9
0.356
JOR-UNI-61e7b1d5-21
0.355
MAK-UNK-10dfa458-31
0.354
BAR-COM-21d20d65-7
0.354
MAK-UNK-30aad1f1-1
0.353
DAR-DIA-842b4336-9
0.352
JOH-IMS-62aeb97d-5
0.351
MAK-UNK-30aad1f1-14
0.351
BAR-COM-21d20d65-5
0.351
WIL-UNI-5578df48-32
0.350
MAR-TRE-67513f76-93
0.348
MAK-UNK-d1e89583-5
0.348
BAR-COM-21d20d65-6
0.347
WAR-XCH-6eb0722e-1
0.347
WAR-XCH-6eb0722e-3
0.346
WIL-UNI-5578df48-21
0.345
DAR-DIA-842b4336-5
0.345
MAK-UNK-d1e89583-3
0.344
SAD-SAT-689b7d5a-3
0.344
MAR-TRE-2fd8122f-68
0.344
MAR-TRE-7f7bb9f0-68
0.344
WIL-UNI-5578df48-31
0.343
CHR-SOS-363cfb78-4
0.343
JOR-UNI-61e7b1d5-8
0.343
MAR-TRE-67513f76-81
0.342
WAR-XCH-eb7b662f-5
0.341
SAD-SAT-689b7d5a-8
0.340
SAD-SAT-135344c3-10
0.340
BAR-COM-5694a99d-2
0.340
MAK-UNK-129dcd6f-9
0.340
AAR-POS-d2a4d1df-11
0.338
MAK-UNK-d1e89583-7
0.337
MAR-TRE-7f7bb9f0-49
0.337
SAD-SAT-689b7d5a-4
0.337
MAK-UNK-d1e89583-8
0.337
SAD-SAT-689b7d5a-6
0.337
DAR-DIA-842b4336-6
0.333
WAR-XCH-eb7b662f-3
0.333
MAK-UNK-ca11b4f7-1
0.333
MAK-UNK-129dcd6f-12
0.333
MAR-TRE-2fd8122f-46
0.333
MAK-UNK-148caf23-2
0.333
JOR-UNI-61e7b1d5-29
0.330
CHR-SOS-363cfb78-5
0.330
MAD-FNM-74857450-1
0.330
MAK-UNK-009ebe36-8
0.330
MAR-TRE-74c6519b-17
0.330
IAN-BAS-df1706d7-1
0.330
WIL-UNI-5578df48-22
0.330
DAR-DIA-842b4336-2
0.329
DAR-DIA-23aa0b97-15
0.329
JOR-UNI-61e7b1d5-31
0.327
ANT-DIA-3c79be55-3
0.327
GAB-REV-df64cf17-5
0.327
BAR-COM-21d20d65-8
0.327
WIL-UNI-1faa9b10-8
0.327
DAR-DIA-842b4336-15
0.326
DAR-DIA-23aa0b97-17
0.326
WIL-UNI-5578df48-15
0.326
ANN-UNI-26382800-5
0.326
JAN-GHE-83b26c96-19
0.326
DAR-DIA-23aa0b97-14
0.326
JOR-UNI-2fc98d0b-7
0.326
WAR-XCH-eb7b662f-7
0.326
DAR-DIA-842b4336-3
0.326
JOR-UNI-61e7b1d5-13
0.324
TRY-UNI-1fd04853-1
0.323
PET-SGC-175e168c-1
0.323
CHR-SOS-f7373dd1-6
0.323
JOR-UNI-61e7b1d5-4
0.321
JOR-UNI-61e7b1d5-19
0.321
JOR-UNI-61e7b1d5-15
0.321
DAR-DIA-842b4336-1
0.321
FAR-UNI-736b943a-6
0.321
SAD-SAT-135344c3-9
0.320
SAD-SAT-689b7d5a-5
0.320