Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NCC1CCC2(Cc3cccc2c3)C1 |
| MW: | 278.18 |
| Fraction sp3: | 0.42 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 24.92 |
| cLogP: | 4.1 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
SAD-SAT-7d5528d9-28
0.582
SAD-SAT-7d5528d9-26
0.535
SAD-SAT-7d5528d9-25
0.461
SAD-SAT-7d5528d9-13
0.413
SAD-SAT-7d5528d9-29
0.364
JAN-GHE-83b26c96-20
0.344
EDG-MED-0da5ad92-11
0.344
DAR-DIA-0cde14eb-1
0.323
BAR-COM-0f94fc3d-25
0.319
SAD-SAT-7d5528d9-34
0.319
DAR-DIA-0cde14eb-4
0.316
DAR-DIA-0cde14eb-5
0.312
MAT-POS-590ac91e-24
0.310
DAR-DIA-0cde14eb-2
0.305
SAD-SAT-7d5528d9-30
0.302
DAR-DIA-0cde14eb-3
0.302
SAD-SAT-7d5528d9-12
0.300
DAR-DIA-0cde14eb-10
0.299
EDG-MED-0da5ad92-4
0.299
TRY-UNI-714a760b-10
0.299
ALE-HEI-f28a35b5-6
0.299
MAT-POS-136e7878-1
0.298
EDG-MED-0da5ad92-9
0.297
MAT-POS-590ac91e-29
0.297
SAD-SAT-7d5528d9-8
0.296
DAR-DIA-0cde14eb-6
0.295
DAR-DIA-0cde14eb-7
0.295
ALP-POS-95b75b4d-4
0.295
DAR-DIA-0cde14eb-8
0.295
MAT-POS-590ac91e-25
0.293
DAR-DIA-0cde14eb-14
0.293
MAT-POS-590ac91e-21
0.292
DAR-DIA-0cde14eb-9
0.289
GAB-REV-70cc3ca5-23
0.289
MAT-POS-590ac91e-5
0.287
SAD-SAT-7d5528d9-48
0.284
MAT-POS-590ac91e-22
0.284
DAR-DIA-0cde14eb-11
0.283
DAR-DIA-0cde14eb-13
0.283
DAR-DIA-0cde14eb-12
0.283
EDG-MED-0da5ad92-10
0.283
JAN-GHE-83b26c96-22
0.283
ASH-UNK-40b46b30-8
0.282
CHR-SOS-e960e883-6
0.282
MAT-POS-590ac91e-4
0.281
SAM-UNK-2684b532-8
0.280
SAD-SAT-7d5528d9-4
0.279
GAB-UNA-73b7ed31-1
0.279
ASH-UNK-40b46b30-11
0.278
MAT-POS-590ac91e-3
0.278
CHR-SOS-e960e883-5
0.276
MAT-POS-590ac91e-18
0.276
MAT-POS-590ac91e-6
0.276
EDJ-MED-e58735b6-2
0.275
EDJ-MED-3c65e9ce-4
0.275
SAM-UNK-2684b532-9
0.275
DAR-DIA-0cde14eb-15
0.275
BEN-DND-6de5dfa0-14
0.274
MAT-POS-590ac91e-7
0.273
MAT-POS-590ac91e-9
0.273
WAR-XCH-e55cba98-11
0.273
MAT-POS-590ac91e-14
0.272
CHR-SOS-e960e883-4
0.271
BEN-DND-6de5dfa0-15
0.271
DAR-DIA-0cde14eb-79
0.271
MAR-TRE-67513f76-79
0.271
MIH-UNI-3396182e-1
0.271
MAT-POS-590ac91e-23
0.270
SAD-SAT-7d5528d9-7
0.269
CHR-SOS-1f323c23-11
0.269
MAK-UNK-f203cb68-18
0.269
WAR-XCH-e55cba98-9
0.268
ALP-POS-95b75b4d-15
0.268
BAR-COM-0f94fc3d-38
0.268
ADA-UCB-6c2cb422-4
0.267
MAT-POS-590ac91e-26
0.267
MAT-POS-590ac91e-10
0.267
BEN-DND-22e6b372-3
0.266
DAR-DIA-2964957d-2
0.266
BEN-DND-93268d01-7
0.266
MAT-POS-e501d84c-1
0.265
CHR-SOS-1f323c23-8
0.264
ANN-UNI-98d2bf15-1
0.264
JOH-UNI-abfda500-6
0.264
TRY-UNI-714a760b-16
0.264
MAT-POS-590ac91e-15
0.264
WAR-XCH-bdd24732-45
0.264
MAK-UNK-6435e6c2-8
0.263
AAR-POS-d2a4d1df-3
0.263
ALP-POS-f13221e1-4
0.263
THO-SYG-cc9e9a11-2
0.263
MAK-UNK-6ca90168-27
0.263
RAL-THA-901e9a10-7
0.262
BRU-LEF-c49414a7-1
0.262
CHR-SOS-1f323c23-5
0.262
MAT-POS-044491d2-2
0.262
MAT-POS-590ac91e-19
0.261
EDG-MED-0da5ad92-6
0.261
JAN-GHE-83b26c96-13
0.261
MAK-UNK-6ca90168-24
0.261