Molecular Properties | |
SMILES: | Cc1ccccc1CC(=O)NCc1cccc(Cn2ccnc2)c1 |
MW: | 319.17 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 46.92 |
cLogP: | 3.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-8190bb11-34
0.544
MAR-TRE-3159af1a-4
0.347
RAL-THA-2d450e86-38
0.333
CHA-MCP-85291e1d-7
0.304
DAR-DIA-6a49afbe-1
0.304
SAD-SAT-135344c3-9
0.303
MAR-TRE-3159af1a-14
0.299
RAF-POL-b61b4b25-9
0.299
BAR-COM-0f94fc3d-11
0.294
MAR-TRE-799db12b-44
0.293
MAR-TRE-74c6519b-78
0.293
EDJ-MED-b24713dc-4
0.292
BEN-DND-1e24cf73-2
0.289
MAR-TRE-fd17a9b8-37
0.286
NIM-UNI-7ba87d62-2
0.284
TRY-UNI-1fd04853-5
0.284
SAD-SAT-7d5528d9-1
0.283
MAR-TRE-d0525fbf-22
0.282
MAK-UNK-6ca90168-10
0.280
NAU-LAT-64f4b287-9
0.280
MAR-TRE-4b834d9a-75
0.278
MAR-TRE-4b834d9a-22
0.278
MAR-TRE-b77b7921-11
0.277
MAR-TRE-92684b97-82
0.277
TRY-UNI-1fd04853-6
0.276
MAR-TRE-74c6519b-25
0.275
ALP-POS-95b75b4d-4
0.274
MAR-TRE-3159af1a-5
0.272
MAK-UNK-7c9d1431-20
0.271
MAR-TRE-4b834d9a-3
0.269
MAR-TRE-b77b7921-29
0.269
EDJ-MED-e58735b6-2
0.267
EDG-MED-0da5ad92-15
0.267
DAR-DIA-6a49afbe-9
0.266
AAR-UNI-c25c2f1e-84
0.265
SAD-SAT-29425be4-9
0.265
MAR-TRE-74c6519b-10
0.264
TAM-UNI-d1c3dd9f-12
0.263
MAR-TRE-8190bb11-8
0.263
MAR-TRE-4b834d9a-2
0.262
BAR-COM-4e090d3a-5
0.262
MAR-TRE-f6f5f473-68
0.262
MAR-TRE-04c86cea-58
0.261
MAR-TRE-3159af1a-53
0.260
MAR-TRE-4b834d9a-25
0.260
PET-UNK-8df914d1-4
0.258
AAR-UNI-c25c2f1e-43
0.257
MAR-TRE-74c6519b-86
0.257
MAR-TRE-4b834d9a-12
0.257
MAR-TRE-74c6519b-8
0.257
MAR-TRE-b77b7921-10
0.256
JOH-UNI-abfda500-6
0.256
ANN-UNI-98d2bf15-1
0.256
PET-UNK-8df914d1-5
0.255
EDJ-MED-6e43a462-3
0.255
MAR-TRE-c8530538-8
0.255
MAR-TRE-3e4e6814-14
0.255
MAR-TRE-3159af1a-47
0.255
MAR-TRE-4b834d9a-21
0.255
MAR-TRE-74c6519b-9
0.255
TAT-ENA-80bfd3e5-20
0.253
AAR-POS-d2a4d1df-41
0.253
JAN-GHE-f4ca5a00-14
0.253
MAR-TRE-9d18ae8c-53
0.253
EDJ-MED-c8e7a002-4
0.253
KEI-TRE-d5e2018a-82
0.252
BEN-DND-1e24cf73-4
0.252
MAR-TRE-04c86cea-26
0.252
MAR-TRE-b77b7921-99
0.252
MAR-TRE-d0525fbf-38
0.252
BRU-THA-92256091-27
0.252
BAR-COM-0f94fc3d-42
0.250
ALP-POS-76eab5ce-2
0.250
MAK-UNK-10799360-19
0.250
BEN-DND-1e24cf73-1
0.250
MAR-TRE-f6f5f473-72
0.250
MAR-TRE-6a44bbf2-23
0.250
MAR-TRE-799db12b-16
0.250
RAL-THA-2d450e86-13
0.250
RAL-THA-2d450e86-22
0.250
ALP-POS-ced8ea4d-41
0.250
MAR-TRE-3e4e6814-2
0.248
MIC-UNK-2744a8e2-1
0.248
TAT-ENA-80bfd3e5-3
0.248
MAR-TRE-04c86cea-60
0.248
MAR-TRE-4b834d9a-94
0.248
AAR-UNI-c25c2f1e-8
0.248
DAR-DIA-6a49afbe-2
0.248
SER-UNI-985a0e14-2
0.247
BEN-DND-1e24cf73-3
0.247
RAL-MED-2de63afb-12
0.247
ALE-UNK-fca05062-3
0.247
ALP-POS-e980f4ea-41
0.246
MAR-TRE-b77b7921-8
0.246
MAR-TRE-04c86cea-33
0.246
MAT-POS-c79fcd02-1
0.245
BAR-COM-4e090d3a-38
0.245
AAR-UNI-c25c2f1e-104
0.245
MAT-POS-fce787c2-1
0.245
JAN-GHE-5a013bed-3
0.245