Molecular Properties | |
SMILES: | CC(=O)N1CCN(C/C=C/c2cnccc2C)CC1 |
MW: | 259.17 |
Fraction sp3: | 0.47 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 36.44 |
cLogP: | 1.57 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-DND-6de5dfa0-26
0.429
EDJ-MED-3c65e9ce-1
0.423
BEN-DND-93268d01-8
0.423
BEN-DND-6de5dfa0-27
0.411
BEN-DND-6de5dfa0-17
0.411
BEN-DND-6de5dfa0-6
0.367
JAN-GHE-1d98ec1c-10
0.355
EDJ-MED-3c65e9ce-2
0.354
AHN-SAT-de2502ba-14
0.352
SAD-SAT-65574d3f-1
0.352
VLA-UCB-05e51b3f-3
0.352
BEN-DND-6de5dfa0-10
0.347
BEN-DND-6de5dfa0-19
0.342
BEN-DND-6de5dfa0-16
0.342
NIR-THE-b7e8e081-2
0.342
BEN-DND-6de5dfa0-22
0.333
NIR-THE-b7e8e081-1
0.329
BEN-DND-6de5dfa0-21
0.329
BEN-DND-6de5dfa0-20
0.329
EDJ-MED-3c65e9ce-3
0.325
BEN-DND-09b88bf4-1
0.318
BEN-DND-6de5dfa0-2
0.318
BEN-DND-09b88bf4-8
0.317
BEN-DND-22e6b372-1
0.313
BEN-DND-03406596-7
0.312
BEN-DND-6de5dfa0-1
0.312
BEN-DND-09b88bf4-2
0.312
BEN-DND-6de5dfa0-18
0.312
BEN-DND-6de5dfa0-7
0.309
BEN-DND-09b88bf4-6
0.309
NAU-LAT-3f5f3993-2
0.308
BEN-DND-6de5dfa0-23
0.307
NAU-LAT-3f5f3993-10
0.303
BEN-DND-93268d01-9
0.303
BEN-DND-09b88bf4-5
0.303
MAK-UNK-902cc841-15
0.302
NAU-LAT-3f5f3993-5
0.300
NAU-LAT-a5c7d7cb-3
0.300
VLA-UCB-05e51b3f-2
0.300
BEN-DND-6de5dfa0-3
0.300
BEN-DND-09b88bf4-3
0.300
JAN-GHE-1d98ec1c-8
0.300
MAK-UNK-902cc841-17
0.299
BEN-DND-6de5dfa0-24
0.299
BEN-VAN-c986b20b-17
0.298
SCO-VAN-260d9628-1
0.297
ALE-HEI-f28a35b5-17
0.297
KIM-UNI-2ee5d8f9-1
0.296
DAR-DIA-076fb6ea-14
0.290
MAK-UNK-6435e6c2-3
0.290
SEL-UNI-8426c22c-4
0.289
BEN-DND-6de5dfa0-12
0.289
NAU-LAT-3f5f3993-3
0.287
BEN-DND-93268d01-11
0.286
PAT-UNK-b2d83456-2
0.286
KIM-UNI-7d12df64-3
0.286
MAK-UNK-6435e6c2-2
0.286
BEN-DND-6de5dfa0-5
0.284
DRR-IMP-38dce17f-4
0.284
PET-SGC-fedd1f79-1
0.283
BEN-VAN-c986b20b-10
0.282
BEN-DND-93268d01-10
0.282
DRR-IMP-38dce17f-6
0.282
AAR-POS-d2a4d1df-3
0.281
MAK-UNK-6435e6c2-8
0.281
RED-SAT-26a928c9-1
0.281
ANU-UNK-2781581f-1
0.281
JAN-GHE-1d98ec1c-6
0.280
STE-KUL-2e0d2e88-3
0.280
SAD-SAT-b55127ae-4
0.280
WIL-LEE-23e8b574-4
0.280
WIL-LEE-23e8b574-2
0.280
JOO-PER-58e158bd-1
0.279
PAT-UNK-b2d83456-1
0.276
MAK-UNK-6ca90168-26
0.275
EDJ-MED-3c65e9ce-4
0.275
WIL-LEE-23e8b574-3
0.275
JAN-GHE-1d98ec1c-2
0.275
KIM-UNI-7d12df64-1
0.275
JAN-GHE-fd8d85a5-10
0.275
ERI-UCB-5b47150d-4
0.274
JAN-GHE-fd8d85a5-9
0.274
BEN-DND-6de5dfa0-14
0.274
ALP-POS-6747fa38-1
0.274
VLA-UCB-05e51b3f-1
0.274
BEN-DND-6de5dfa0-11
0.274
NAU-LAT-a5c7d7cb-1
0.274
NIR-THE-d08c3b48-1
0.274
MAT-POS-590ac91e-5
0.273
ISA-SCH-8e98219b-2
0.273
WIL-LEE-23e8b574-7
0.273
MAK-UNK-7264f48c-6
0.272
KIM-UNI-60f168f5-6
0.272
JAN-GHE-1d98ec1c-5
0.271
BEN-DND-6de5dfa0-15
0.271
ALE-HEI-f28a35b5-12
0.270
NAU-LAT-3f5f3993-1
0.270
DAR-DIA-48c639f7-14
0.270
BEN-DND-09b88bf4-7
0.269
MAK-UNK-7264f48c-3
0.269