Molecular Properties | |
SMILES: | O=C(C[C@H](NCc1ccccc1)C(=O)O)Nc1cccnc1 |
MW: | 299.13 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 91.32 |
cLogP: | 1.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-d0525fbf-91
0.776
MAR-TRE-9c797165-8
0.677
SAN-PRS-52b81272-2
0.550
AUS-ARG-7cfdce8f-11
0.548
MAR-TRE-67513f76-81
0.474
CHR-SOS-59746812-1
0.472
CHR-SOS-59746812-5
0.466
MAR-TRE-04c86cea-97
0.458
MAK-UNK-ca11b4f7-1
0.458
JOH-IMS-62aeb97d-5
0.458
MAR-TRE-9c797165-52
0.452
TAM-UNI-c140e31a-10
0.447
MAK-UNK-c749d764-17
0.441
MAK-UNK-a7b37c5e-1
0.441
CHR-SOS-70e4c98a-6
0.431
MAK-UNK-a7b37c5e-2
0.429
CHR-SOS-70e4c98a-3
0.427
DAR-DIA-842b4336-10
0.426
MAR-TRE-2fd8122f-47
0.425
CHR-SOS-f7373dd1-4
0.425
SAD-SAT-24589cd1-4
0.424
MAK-UNK-c749d764-27
0.423
CHR-SOS-70e4c98a-8
0.419
MAK-UNK-a7b37c5e-4
0.418
ALE-HEI-f28a35b5-14
0.415
EDG-MED-0da5ad92-2
0.414
CHR-SOS-f7373dd1-1
0.413
MAK-UNK-c749d764-13
0.413
AAR-POS-d2a4d1df-11
0.413
MAK-UNK-a7b37c5e-5
0.412
FRA-FAC-9ed5a63a-2
0.408
MED-UNK-e6e8ef8a-2
0.408
CHR-SOS-59746812-2
0.405
WIL-UNI-5578df48-3
0.405
MAK-UNK-b2c98f02-6
0.405
NAU-LAT-64f4b287-9
0.403
CHR-SOS-f7373dd1-5
0.403
MAK-UNK-c749d764-23
0.403
CHR-SOS-59746812-6
0.400
DAR-DIA-23aa0b97-16
0.400
FRA-FAC-9ed5a63a-1
0.400
AAR-POS-d2a4d1df-13
0.400
ALE-HEI-f28a35b5-9
0.400
CHR-SOS-70e4c98a-1
0.397
MAR-TRE-67513f76-87
0.395
MAK-UNK-c749d764-14
0.395
MED-UNK-e6e8ef8a-6
0.394
DAR-DIA-842b4336-11
0.394
DAR-DIA-842b4336-12
0.394
WIL-UNI-5578df48-2
0.394
CHR-SOS-f7373dd1-2
0.392
MAK-UNK-b2c98f02-9
0.391
MAR-TRE-74c6519b-55
0.390
MAR-TRE-2fd8122f-60
0.390
MED-UNK-e6e8ef8a-3
0.389
SAN-PRS-52b81272-3
0.388
NAU-LAT-445f63e5-6
0.388
ANN-UNI-26382800-5
0.387
MAR-TRE-7f7bb9f0-49
0.384
MAR-TRE-2fd8122f-45
0.383
SAD-SAT-689b7d5a-4
0.382
CHA-MCP-85291e1d-2
0.382
MAR-TRE-67513f76-93
0.378
CHA-MCP-85291e1d-5
0.377
ALE-HEI-f28a35b5-5
0.375
MED-UNK-e6e8ef8a-5
0.375
DAR-DIA-842b4336-13
0.375
MAR-TRE-3e4e6814-6
0.373
MAR-TRE-2fd8122f-78
0.373
KEI-TRE-d5e2018a-81
0.372
MAK-UNK-ca11b4f7-2
0.371
MAK-UNK-ca11b4f7-3
0.371
DAR-DIA-842b4336-16
0.370
MAK-UNK-009ebe36-8
0.369
MAR-TRE-67513f76-73
0.368
MAR-TRE-7f7bb9f0-46
0.368
DAR-DIA-23aa0b97-17
0.368
KAL-WAB-eb347ebe-1
0.368
CHA-MCP-85291e1d-4
0.367
MAR-TRE-b77b7921-91
0.367
MAR-TRE-9c797165-94
0.367
MAR-TRE-74c6519b-54
0.367
MAK-UNK-b2c98f02-7
0.367
MAR-TRE-7f7bb9f0-74
0.365
ADA-UNI-f8e79267-5
0.364
MAR-TRE-3e4e6814-50
0.364
CHA-MCP-85291e1d-1
0.362
MAR-TRE-2fd8122f-79
0.360
DAR-DIA-842b4336-14
0.360
MED-UNK-e6e8ef8a-4
0.360
MAR-TRE-7f7bb9f0-56
0.360
CHR-SOS-7098f804-14
0.359
DAR-DIA-23aa0b97-15
0.357
MAK-UNK-d1e89583-1
0.357
MAR-TRE-3e4e6814-61
0.357
MAR-TRE-f6f5f473-95
0.357
MAR-TRE-2fd8122f-57
0.355
PET-SGC-b0f8bd49-1
0.354
MAR-TRE-2fd8122f-99
0.354
PET-SGC-d0156db4-1
0.354