Molecular Properties | |
SMILES: | CC(=O)N1CCN(CC(=O)Nc2cnncc2C)CC1 |
MW: | 277.15 |
Fraction sp3: | 0.54 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 78.43 |
cLogP: | -0.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-DND-93268d01-8
0.617
EDJ-MED-3c65e9ce-1
0.617
BEN-DND-6de5dfa0-24
0.548
BEN-DND-6de5dfa0-22
0.524
BEN-DND-6de5dfa0-18
0.516
BEN-DND-6de5dfa0-19
0.508
BEN-DND-6de5dfa0-21
0.507
BEN-DND-6de5dfa0-6
0.507
EDJ-MED-3c65e9ce-2
0.493
BEN-DND-6de5dfa0-20
0.485
VLA-UCB-05e51b3f-1
0.471
NAU-LAT-a5c7d7cb-1
0.471
NIR-THE-d08c3b48-1
0.471
BEN-DND-6de5dfa0-11
0.471
ALP-POS-6747fa38-1
0.471
BEN-DND-6de5dfa0-1
0.464
NIR-THE-b7e8e081-1
0.464
BEN-DND-03406596-7
0.464
BEN-DND-09b88bf4-2
0.464
BEN-DND-6de5dfa0-7
0.457
BEN-DND-6de5dfa0-16
0.457
NIR-THE-b7e8e081-2
0.457
BEN-DND-09b88bf4-6
0.457
EDJ-MED-3c65e9ce-3
0.452
BEN-DND-09b88bf4-8
0.444
BEN-DND-09b88bf4-5
0.439
BEN-DND-93268d01-9
0.439
RED-SAT-26a928c9-1
0.429
ANU-UNK-2781581f-1
0.429
BEN-DND-09b88bf4-1
0.421
BEN-DND-6de5dfa0-2
0.421
BEN-DND-09b88bf4-3
0.408
NAU-LAT-3f5f3993-5
0.408
BEN-DND-6de5dfa0-3
0.408
JAN-GHE-1d98ec1c-7
0.397
LON-WEI-b8d98729-4
0.397
BEN-DND-93268d01-11
0.397
EDG-MED-0da5ad92-16
0.391
BEN-DND-93268d01-10
0.391
BEN-DND-09b88bf4-7
0.390
BEN-DND-6de5dfa0-15
0.387
MAR-TRE-6a44bbf2-12
0.382
BEN-DND-22e6b372-1
0.382
EDJ-MED-3c65e9ce-4
0.380
BEN-DND-6de5dfa0-27
0.375
BEN-DND-6de5dfa0-17
0.375
BEN-DND-6de5dfa0-14
0.373
BEN-DND-6de5dfa0-26
0.371
MAR-TRE-6a44bbf2-27
0.370
TAT-ENA-80bfd3e5-30
0.366
BEN-DND-6de5dfa0-5
0.351
MAR-TRE-6a44bbf2-47
0.333
BEN-DND-6de5dfa0-4
0.329
BEN-DND-09b88bf4-4
0.329
BEN-DND-6de5dfa0-10
0.329
JAN-GHE-83b26c96-1
0.325
ISA-SCH-8e98219b-2
0.324
BEN-DND-6de5dfa0-9
0.321
BEN-DND-6de5dfa0-8
0.317
MAK-UNK-902cc841-15
0.317
NAU-LAT-3f5f3993-4
0.308
BEN-DND-6de5dfa0-25
0.307
BEN-DND-22e6b372-4
0.303
MAR-TRE-67513f76-73
0.303
KIM-UNI-7d12df64-3
0.301
MAK-UNK-902cc841-17
0.298
WIL-LEE-23e8b574-2
0.296
MAR-TRE-6a44bbf2-3
0.295
BEN-DND-22e6b372-3
0.295
PET-SGC-fedd1f79-1
0.295
ISA-SCH-8e98219b-3
0.293
NAU-LAT-3f5f3993-2
0.289
MAK-UNK-6435e6c2-3
0.288
BEN-DND-22e6b372-2
0.287
NAU-LAT-3f5f3993-10
0.287
NAU-LAT-a5c7d7cb-3
0.284
VLA-UCB-05e51b3f-2
0.284
MAK-UNK-6435e6c2-2
0.284
MAR-TRE-6a44bbf2-56
0.284
JAN-GHE-fd8d85a5-1
0.282
VLA-UCB-05e51b3f-3
0.280
JAN-GHE-1d98ec1c-6
0.278
MAR-TRE-d0525fbf-64
0.277
WIL-LEE-23e8b574-6
0.275
KIM-UNI-2ee5d8f9-1
0.275
KIM-UNI-7d12df64-1
0.273
JAN-GHE-fd8d85a5-10
0.273
WIL-LEE-23e8b574-3
0.273
MAK-UNK-6ca90168-26
0.273
BEN-VAN-c986b20b-6
0.273
JAN-GHE-fd8d85a5-3
0.272
MAK-UNK-212f693e-5
0.269
DAR-DIA-03336633-6
0.268
ALE-HEI-f28a35b5-12
0.268
MAK-UNK-7264f48c-3
0.267
BEN-VAN-c986b20b-2
0.265
BEN-VAN-c986b20b-3
0.265
MAK-UNK-23561bf6-1
0.265
MAR-TRE-c8530538-7
0.264
BEN-VAN-d8fd1356-21
0.263