Molecular Properties | |
SMILES: | O=C(CNC(=O)c1c[nH]c2ccccc12)Nc1cccnc1 |
MW: | 294.11 |
Fraction sp3: | 0.06 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 86.88 |
cLogP: | 1.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2966068920 |
MolPort: | MolPort-009-748-415 |
Dipeptide
MAR-TRE-04c86cea-51
0.455
MAR-TRE-7f7bb9f0-49
0.453
MAR-TRE-2fd8122f-60
0.438
MAR-TRE-4f781e27-96
0.438
MAR-TRE-3e4e6814-100
0.430
MAR-TRE-9c797165-47
0.430
MAR-TRE-67513f76-93
0.429
JOH-IMS-62aeb97d-5
0.424
SAN-PRS-52b81272-2
0.423
MAR-TRE-3e4e6814-49
0.417
MAR-TRE-67513f76-81
0.415
MAR-TRE-04c86cea-81
0.415
MAR-TRE-3e4e6814-62
0.415
MAR-TRE-3e4e6814-67
0.415
MAR-TRE-4b834d9a-82
0.411
MAR-TRE-fd17a9b8-39
0.411
MAR-TRE-b77b7921-74
0.410
MAK-UNK-a7b37c5e-5
0.405
MAK-UNK-ca11b4f7-1
0.403
MAR-TRE-74c6519b-91
0.402
MAR-TRE-fd17a9b8-29
0.402
MAR-TRE-74c6519b-79
0.400
MAR-TRE-74c6519b-17
0.400
SAD-SAT-24589cd1-4
0.397
IAN-BAS-5394d4c4-1
0.396
WIL-UNI-1faa9b10-8
0.395
DAR-DIA-23aa0b97-16
0.395
MAK-UNK-a7b37c5e-4
0.392
MAR-TRE-b77b7921-77
0.389
MAR-TRE-7f7bb9f0-97
0.388
MAR-TRE-2fd8122f-78
0.388
AUS-ARG-7cfdce8f-11
0.387
MAR-TRE-9c797165-38
0.386
MAR-TRE-b77b7921-97
0.384
MAR-TRE-7f7bb9f0-68
0.384
MAR-TRE-b77b7921-71
0.384
KAL-WAB-eb347ebe-1
0.383
MAR-TRE-7f7bb9f0-8
0.382
MAR-TRE-67513f76-92
0.379
MAR-TRE-4b834d9a-27
0.374
MAR-TRE-04c86cea-95
0.374
MAR-TRE-7f7bb9f0-12
0.374
KEI-TRE-d5e2018a-23
0.374
MAR-TRE-2fd8122f-2
0.372
EDG-MED-0da5ad92-2
0.372
ALE-HEI-f28a35b5-5
0.372
DAR-DIA-842b4336-12
0.372
ALE-HEI-f28a35b5-14
0.370
MAR-TRE-74c6519b-55
0.369
KEI-TRE-d5e2018a-74
0.368
MAK-UNK-a7b37c5e-2
0.367
MAR-TRE-2fd8122f-76
0.364
DAR-DIA-842b4336-10
0.364
MAR-TRE-c317dd82-59
0.364
MAK-UNK-c749d764-27
0.362
KEI-TRE-d5e2018a-68
0.360
MAK-UNK-a7b37c5e-1
0.359
MAR-TRE-2fd8122f-21
0.356
MAK-UNK-d1e89583-1
0.355
MAR-TRE-2fd8122f-27
0.355
MED-UNK-e6e8ef8a-5
0.354
DAR-DIA-842b4336-13
0.354
DAR-DIA-842b4336-11
0.354
MAR-TRE-2fd8122f-57
0.354
CHR-SOS-54d5cf3e-8
0.351
MAR-TRE-2fd8122f-83
0.351
DAR-DIA-842b4336-16
0.350
TAM-UNI-c140e31a-3
0.350
DAR-DIA-23aa0b97-17
0.349
ANN-UNI-26382800-5
0.349
MAR-TRE-74c6519b-47
0.349
MAK-UNK-37f1d6fa-1
0.349
KEI-TRE-d5e2018a-44
0.349
MAR-TRE-74c6519b-54
0.349
CHA-MCP-85291e1d-2
0.345
MAR-TRE-04c86cea-97
0.345
MAR-TRE-3e4e6814-50
0.345
CHA-MCP-85291e1d-1
0.345
GAB-REV-70cc3ca5-17
0.344
MAR-TRE-2fd8122f-17
0.344
MAR-TRE-4b834d9a-97
0.344
FRA-FAC-9ed5a63a-1
0.342
AAR-POS-d2a4d1df-13
0.342
ALE-HEI-f28a35b5-9
0.342
MAK-UNK-c749d764-17
0.342
MAR-TRE-4f781e27-49
0.342
MAR-TRE-7f7bb9f0-56
0.341
MED-UNK-e6e8ef8a-4
0.341
CHA-MCP-85291e1d-5
0.341
MAR-TRE-67513f76-87
0.341
MAR-TRE-3e4e6814-61
0.341
MAR-TRE-f6f5f473-6
0.340
ALP-POS-ddb41b15-5
0.339
DAR-DIA-23aa0b97-15
0.338
MED-UNK-e6e8ef8a-6
0.338
CUN-WAB-25b584ee-2
0.338
CHR-SOS-70e4c98a-6
0.337
MAR-TRE-67513f76-13
0.337
MAR-TRE-3e4e6814-59
0.337
MAR-TRE-9c797165-12
0.337