Molecular Properties | |
SMILES: | Cc1ccc2[nH]cc(CCC(=O)NCC(=O)Nc3cccnc3)c2c1 |
MW: | 336.16 |
Fraction sp3: | 0.21 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 86.88 |
cLogP: | 2.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6898456606 |
MolPort: | MolPort-028-302-197 |
Long aliphatic chain
Dipeptide
MAR-TRE-74c6519b-68
0.455
MAR-TRE-3e4e6814-67
0.442
MAR-TRE-b77b7921-74
0.437
MAR-TRE-7f7bb9f0-49
0.427
MAR-TRE-04c86cea-81
0.425
MAR-TRE-67513f76-93
0.422
MAR-TRE-85681e92-38
0.418
MAK-UNK-37f1d6fa-7
0.413
MAR-TRE-3e4e6814-49
0.411
MAR-TRE-3e4e6814-62
0.409
TAM-UNI-c140e31a-3
0.402
MAR-TRE-2fd8122f-60
0.398
MAK-UNK-37f1d6fa-6
0.393
MAR-TRE-b77b7921-77
0.385
MAK-UNK-37f1d6fa-1
0.385
MAR-TRE-9c797165-38
0.383
MAK-UNK-a7b37c5e-5
0.383
MAR-TRE-74c6519b-91
0.382
SAN-PRS-52b81272-2
0.380
JOH-IMS-62aeb97d-5
0.378
WIL-UNI-1faa9b10-8
0.376
MAR-TRE-3e4e6814-50
0.375
SAD-SAT-24589cd1-4
0.375
DAR-DIA-23aa0b97-16
0.373
MAR-TRE-7f7bb9f0-12
0.371
MAR-TRE-67513f76-81
0.370
ALE-HEI-f28a35b5-5
0.369
MAR-TRE-f6f5f473-46
0.368
ALE-HEI-f28a35b5-14
0.367
MAR-TRE-7f7bb9f0-68
0.366
MAR-TRE-74c6519b-17
0.366
MAR-TRE-b77b7921-97
0.366
MAR-TRE-b77b7921-71
0.366
MAR-TRE-2fd8122f-93
0.364
KAL-WAB-eb347ebe-1
0.364
MAR-TRE-67513f76-92
0.362
MAR-TRE-67513f76-97
0.361
MAK-UNK-c749d764-27
0.360
MAK-UNK-ca11b4f7-1
0.360
CHA-MCP-85291e1d-1
0.359
MAR-TRE-7f7bb9f0-97
0.355
MAK-UNK-a7b37c5e-4
0.354
MAR-TRE-2fd8122f-80
0.354
DAR-DIA-842b4336-12
0.353
AMI-SHA-be6e1b75-1
0.352
AMI-SHA-0ab64bbd-1
0.352
MAR-TRE-f6f5f473-6
0.351
MAR-TRE-9c797165-12
0.351
MAR-TRE-7f7bb9f0-8
0.351
WAR-XCH-eb7b662f-6
0.349
DAR-DIA-842b4336-16
0.349
CHA-MCP-85291e1d-4
0.348
MAR-TRE-04c86cea-95
0.343
DUN-NEW-f8ce3686-8
0.343
MAR-TRE-9c797165-47
0.343
MAK-UNK-c749d764-17
0.341
MAR-TRE-67513f76-87
0.341
MAK-UNK-c749d764-14
0.341
MAR-TRE-2fd8122f-2
0.340
MAR-TRE-74c6519b-79
0.340
MED-UNK-e6e8ef8a-5
0.337
EDG-MED-0da5ad92-2
0.337
DAR-DIA-842b4336-11
0.337
CHR-SOS-70e4c98a-6
0.337
MAR-TRE-67513f76-13
0.337
NAU-LAT-81109c57-8
0.337
MAR-TRE-3e4e6814-59
0.337
MAR-TRE-7f7bb9f0-58
0.337
CHR-SOS-54d5cf3e-8
0.337
ASH-UNK-40b46b30-7
0.337
MAR-TRE-c317dd82-56
0.333
AUS-ARG-7cfdce8f-11
0.333
DAR-DIA-23aa0b97-17
0.333
MAR-TRE-9c797165-94
0.333
MAK-UNK-a7b37c5e-2
0.333
MAR-TRE-9c797165-21
0.333
MAR-TRE-67513f76-73
0.333
MAR-TRE-67513f76-55
0.333
DUN-NEW-f8ce3686-4
0.333
WAR-XCH-6eb0722e-5
0.333
MAK-UNK-37f1d6fa-3
0.330
MAR-TRE-04c86cea-96
0.330
MAR-TRE-2fd8122f-30
0.330
CHR-SOS-59746812-3
0.330
MAR-TRE-04c86cea-97
0.330
CHA-MCP-85291e1d-2
0.330
CHR-SOS-70e4c98a-8
0.330
DAR-DIA-842b4336-10
0.329
MAR-TRE-04c86cea-64
0.327
CHR-SOS-54d5cf3e-6
0.327
MAR-TRE-f6f5f473-95
0.327
CHR-SOS-59746812-4
0.327
KEI-TRE-d5e2018a-14
0.326
KEI-TRE-d5e2018a-45
0.326
TAM-UNI-c140e31a-10
0.326
WIL-UNI-5578df48-14
0.326
MAR-TRE-9c797165-52
0.326
MAR-TRE-7f7bb9f0-56
0.326
MED-UNK-e6e8ef8a-4
0.326
MAK-UNK-a7b37c5e-1
0.326