Molecular Properties | |
SMILES: | CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1cccnc1 |
MW: | 306.17 |
Fraction sp3: | 0.47 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 100.19 |
cLogP: | 0.83 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z2697323499 |
Long aliphatic chain
Dipeptide
MAK-UNK-ca11b4f7-3
0.463
JOH-IMS-62aeb97d-5
0.429
MAR-TRE-67513f76-81
0.418
MAK-UNK-ca11b4f7-2
0.411
MAK-UNK-ca11b4f7-1
0.404
MAR-TRE-67513f76-93
0.391
WIL-UNI-5578df48-21
0.388
ALE-HEI-f28a35b5-15
0.387
WAR-XCH-eb7b662f-7
0.385
WAR-XCH-eb7b662f-6
0.385
JAN-GHE-83b26c96-19
0.385
DAR-DIA-23aa0b97-14
0.385
JOR-UNI-2fc98d0b-7
0.385
MAR-TRE-2fd8122f-58
0.384
AAR-POS-d2a4d1df-11
0.383
DAR-DIA-842b4336-1
0.381
WIL-UNI-5578df48-4
0.375
MAK-UNK-c749d764-17
0.373
ALE-HEI-f28a35b5-4
0.373
MAR-TRE-2fd8122f-79
0.371
DAR-DIA-842b4336-2
0.369
MAK-UNK-d1e89583-1
0.369
DAR-DIA-842b4336-11
0.368
ALE-HEI-f28a35b5-5
0.368
SAD-SAT-689b7d5a-3
0.366
WIL-UNI-5578df48-22
0.366
ALE-HEI-f28a35b5-14
0.365
WIL-UNI-5578df48-2
0.365
ALE-HEI-f28a35b5-16
0.364
DAR-DIA-842b4336-3
0.364
DAR-DIA-842b4336-16
0.362
WAR-XCH-eb7b662f-5
0.362
MAR-TRE-3e4e6814-93
0.361
SAN-PRS-52b81272-2
0.359
SAN-PRS-52b81272-3
0.359
ISA-SCH-8e98219b-1
0.359
MAK-UNK-d1e89583-4
0.358
CHR-SOS-7098f804-12
0.358
MAR-TRE-2fd8122f-98
0.355
SAD-SAT-24589cd1-4
0.354
WAR-XCH-eb7b662f-3
0.354
JOH-IMS-62aeb97d-2
0.353
SAD-SAT-689b7d5a-9
0.352
MED-UNK-e6e8ef8a-4
0.352
WIL-UNI-5578df48-19
0.351
KEI-TRE-d5e2018a-40
0.351
SAD-SAT-689b7d5a-5
0.351
DAR-DIA-23aa0b97-15
0.348
MAK-UNK-a7b37c5e-4
0.348
MAR-TRE-2fd8122f-27
0.348
MED-UNK-e6e8ef8a-5
0.348
EDG-MED-0da5ad92-2
0.348
MED-UNK-e6e8ef8a-6
0.348
MED-UNK-e6e8ef8a-1
0.348
DAR-DIA-842b4336-7
0.348
DAR-DIA-842b4336-12
0.348
MAR-TRE-67513f76-13
0.347
AUS-ARG-7cfdce8f-11
0.343
JOH-UNK-14e6adc5-2
0.343
DAR-DIA-842b4336-4
0.343
MAK-UNK-a7b37c5e-5
0.343
JOH-IMS-62aeb97d-4
0.343
ANN-UNI-26382800-3
0.343
MED-UNK-e6e8ef8a-3
0.343
CHR-SOS-7098f804-11
0.343
MAR-TRE-4b834d9a-31
0.342
KEI-TRE-d5e2018a-44
0.342
SAD-SAT-689b7d5a-8
0.342
MAK-UNK-129dcd6f-2
0.342
MAR-TRE-3e4e6814-28
0.342
ADA-UNI-f8e79267-11
0.342
ALE-HEI-f28a35b5-8
0.338
MAK-UNK-d1e89583-7
0.338
DAR-DIA-842b4336-10
0.338
MAK-UNK-c749d764-27
0.338
MAR-TRE-7f7bb9f0-49
0.338
SAD-SAT-689b7d5a-4
0.338
ADA-UNI-f8e79267-5
0.338
MAK-UNK-129dcd6f-3
0.338
CHA-MCP-85291e1d-1
0.338
JOH-IMS-62aeb97d-1
0.333
MAR-TRE-f6f5f473-78
0.333
MAR-TRE-7f7bb9f0-56
0.333
KEI-TRE-d5e2018a-14
0.333
KEI-TRE-d5e2018a-76
0.333
KEI-TRE-d5e2018a-90
0.333
DAR-DIA-23aa0b97-16
0.333
MAK-UNK-a7b37c5e-1
0.333
JOH-IMS-62aeb97d-3
0.333
MAR-TRE-f6f5f473-75
0.333
MAK-UNK-d1e89583-2
0.333
MAK-UNK-d1e89583-6
0.333
FRA-FAC-9ed5a63a-1
0.333
ALE-HEI-f28a35b5-9
0.333
AAR-POS-d2a4d1df-13
0.333
BEN-BAS-e0d85f98-1
0.329
MAK-UNK-129dcd6f-5
0.329
PET-SGC-d0156db4-2
0.329
ADA-UNI-f8e79267-4
0.329
MAR-TRE-74c6519b-55
0.329