Molecular Properties | |
SMILES: | Cc1cccc(CC(=O)NCc2nnn(C)n2)c1 |
MW: | 245.286 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 72.7 |
cLogP: | 0.37742 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1902193658 |
Enamine Extended REAL: | s_22____9440666____2786002 |
AAR-POS-d2a4d1df-16
VLA-UNK-411a133b-1
0.394
RAL-THA-2d450e86-13
0.390
AGN-NEW-c7b24fe3-3
0.368
AGN-NEW-c7b24fe3-6
0.368
AGN-NEW-c7b24fe3-2
0.364
ALP-POS-95b75b4d-9
0.364
VLA-UNK-411a133b-2
0.361
MAR-TRE-3159af1a-4
0.352
MAR-TRE-b77b7921-11
0.333
EDJ-MED-49816e9b-5
0.333
MAR-TRE-74c6519b-25
0.330
AAR-UNI-c25c2f1e-29
0.329
JAN-GHE-5a013bed-1
0.324
CHA-MCP-85291e1d-7
0.321
NAU-LAT-e1818702-7
0.320
JAG-UCB-a3ef7265-17
0.320
JAG-UCB-a3ef7265-15
0.320
AAR-POS-d2a4d1df-24
0.319
MAR-TRE-b77b7921-99
0.315
JAN-GHE-5a013bed-5
0.314
EDG-MED-0da5ad92-15
0.312
MAR-TRE-74c6519b-8
0.305
AAR-UNI-c25c2f1e-89
0.303
PET-UNK-8df914d1-4
0.303
EDJ-MED-c8e7a002-6
0.302
NAU-LAT-a5c7d7cb-11
0.301
MAR-TRE-74c6519b-70
0.299
AAR-UNI-c25c2f1e-101
0.299
MAR-TRE-3159af1a-53
0.299
EDG-MED-0da5ad92-12
0.299
EDJ-MED-49816e9b-3
0.299
MAR-TRE-f6f5f473-72
0.296
RUB-POS-1325a9ea-15
0.294
MAK-UNK-e4a48a85-9
0.293
MAR-TRE-74c6519b-7
0.293
MAK-UNK-af83ef51-10
0.293
MAK-UNK-3f402c2b-3
0.291
JAG-UCB-a3ef7265-18
0.288
JAN-GHE-5a013bed-4
0.286
EDG-MED-0da5ad92-21
0.286
MAR-TRE-f6f5f473-93
0.286
MAK-UNK-af83ef51-6
0.286
TRY-UNI-1fd04853-5
0.282
EDJ-MED-c8e7a002-8
0.282
MAK-UNK-10799360-3
0.281
JAN-GHE-f4ca5a00-16
0.280
MAR-TRE-3e4e6814-2
0.280
MAR-LAB-ff9967db-28
0.279
EDJ-MED-b24713dc-1
0.279
MAR-TRE-f6f5f473-41
0.279
JAG-UCB-ef2c0e8e-8
0.278
EDJ-MED-97c1bf5c-2
0.278
EDJ-MED-c8e7a002-11
0.277
EDJ-MED-b24713dc-2
0.277
NAU-LAT-a5c7d7cb-10
0.277
MAK-UNK-af83ef51-13
0.276
JAN-GHE-5a013bed-11
0.276
MAT-POS-c20a539d-6
0.276
EDJ-MED-c8e7a002-4
0.276
RUB-POS-1325a9ea-4
0.276
PET-UNK-e274cad4-1
0.276
MAT-POS-29385cc1-3
0.276
RUB-POS-1325a9ea-14
0.276
EDG-MED-0da5ad92-18
0.275
MAR-TRE-a3327163-30
0.275
MAK-UNK-e4a48a85-17
0.275
MAK-UNK-10dfa458-10
0.273
MAR-TRE-9d18ae8c-43
0.273
MAR-TRE-8190bb11-8
0.273
MAR-TRE-3e4e6814-94
0.272
MAR-TRE-fd17a9b8-40
0.272
BAR-COM-0f94fc3d-4
0.272
NAU-LAT-e1818702-8
0.271
EDJ-MED-49816e9b-2
0.269
EDG-MED-0da5ad92-16
0.269
EDG-MED-0da5ad92-13
0.269
PET-UNK-158bee2a-3
0.269
NAU-LAT-e1818702-1
0.268
JAN-GHE-f4ca5a00-12
0.268
EDJ-MED-076d6e64-1
0.267
MAR-TRE-3e4e6814-51
0.267
JAN-GHE-5a013bed-9
0.267
NIR-THE-0d6461ce-1
0.266
EDG-MED-0da5ad92-14
0.266
MIC-UNK-13557a72-1
0.266
MAK-UNK-e4a48a85-11
0.265
PET-UNK-8df914d1-5
0.265
ANN-UNI-98d2bf15-2
0.265
MIC-UNK-d935700b-1
0.265
RUB-POS-1325a9ea-8
0.264
MAT-POS-3b92565d-13
0.264
EDJ-MED-b24713dc-3
0.264
EDJ-MED-c8e7a002-5
0.264
MAR-TRE-3159af1a-85
0.263
MAK-UNK-e4a48a85-10
0.263
JAN-GHE-5a013bed-7
0.263
NAU-LAT-e1818702-10
0.263
TRY-UNI-714a760b-6
0.263
PET-UNK-8df914d1-3
0.263
VLA-UCB-00f2c2b3-7
0.262