Molecular Properties | |
SMILES: | CC(=O)N1CCN(CNC(=O)c2cnccc2C)CC1 |
MW: | 276.16 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 65.54 |
cLogP: | 0.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_CH2O_acetal
acyclic N-C-N
BEN-DND-6de5dfa0-27
0.554
BEN-DND-93268d01-8
0.478
EDJ-MED-3c65e9ce-1
0.478
BEN-DND-6de5dfa0-17
0.443
BEN-DND-6de5dfa0-25
0.429
BEN-DND-6de5dfa0-6
0.413
BAR-COM-0f94fc3d-6
0.400
BEN-DND-6de5dfa0-21
0.392
BEN-DND-6de5dfa0-19
0.389
BAR-COM-0f94fc3d-21
0.386
BAR-COM-0f94fc3d-30
0.386
BEN-DND-6de5dfa0-22
0.380
BEN-DND-6de5dfa0-10
0.375
BEN-DND-6de5dfa0-20
0.373
BEN-DND-22e6b372-1
0.372
ISA-SCH-8e98219b-2
0.371
BEN-DND-6de5dfa0-23
0.371
EDJ-MED-3c65e9ce-3
0.367
EDJ-MED-3c65e9ce-2
0.364
NAU-LAT-3f5f3993-10
0.357
BEN-DND-09b88bf4-2
0.355
BEN-DND-03406596-7
0.355
BEN-DND-6de5dfa0-1
0.355
NIR-THE-b7e8e081-1
0.355
BEN-DND-09b88bf4-6
0.351
BEN-DND-6de5dfa0-7
0.351
BEN-DND-6de5dfa0-16
0.351
NIR-THE-b7e8e081-2
0.351
ANU-UNK-2781581f-1
0.349
RED-SAT-26a928c9-1
0.349
BEN-DND-93268d01-9
0.347
BEN-DND-09b88bf4-5
0.347
VLA-UCB-05e51b3f-3
0.344
BEN-DND-6de5dfa0-24
0.342
BEN-DND-09b88bf4-8
0.342
MAK-UNK-902cc841-15
0.341
ISA-SCH-8e98219b-3
0.338
BEN-DND-6de5dfa0-18
0.338
NAU-LAT-3f5f3993-2
0.333
BEN-DND-93268d01-11
0.329
BEN-DND-6de5dfa0-2
0.325
BEN-DND-09b88bf4-1
0.325
NAU-LAT-3f5f3993-5
0.325
BEN-DND-6de5dfa0-3
0.325
BEN-DND-6de5dfa0-5
0.325
BEN-DND-09b88bf4-3
0.325
BEN-DND-93268d01-10
0.324
WIL-LEE-23e8b574-2
0.324
ALE-HEI-f28a35b5-17
0.324
SCO-VAN-260d9628-1
0.324
MAK-UNK-902cc841-17
0.321
EDJ-MED-3c65e9ce-4
0.316
BEN-DND-6de5dfa0-9
0.313
ALP-POS-6747fa38-1
0.312
BEN-DND-6de5dfa0-11
0.312
VLA-UCB-05e51b3f-1
0.312
NIR-THE-d08c3b48-1
0.312
NAU-LAT-a5c7d7cb-1
0.312
BEN-DND-6de5dfa0-14
0.312
AAR-POS-d2a4d1df-3
0.311
MAK-UNK-6435e6c2-8
0.311
NAU-LAT-3f5f3993-3
0.310
BEN-DND-6de5dfa0-15
0.309
NAU-LAT-a5c7d7cb-3
0.307
VLA-UCB-05e51b3f-2
0.307
NAU-LAT-3f5f3993-1
0.306
BEN-VAN-c986b20b-2
0.305
BEN-VAN-c986b20b-17
0.305
BEN-DND-09b88bf4-4
0.304
BEN-DND-6de5dfa0-4
0.304
BEN-DND-09b88bf4-7
0.303
MAK-UNK-6ca90168-26
0.303
WIL-LEE-23e8b574-3
0.299
MAK-UNK-6435e6c2-3
0.299
SEL-UNI-8426c22c-4
0.296
BEN-DND-22e6b372-2
0.296
ALE-HEI-f28a35b5-13
0.296
ALE-HEI-f28a35b5-12
0.296
BEN-DND-6de5dfa0-12
0.295
BEN-DND-22e6b372-4
0.295
KIM-UNI-60f168f5-6
0.295
BEN-DND-6de5dfa0-8
0.294
MAK-UNK-6435e6c2-2
0.294
KIM-UNI-7d12df64-3
0.293
MAK-UNK-7264f48c-6
0.292
ANU-UNK-2781581f-2
0.291
ASH-SAT-43770c7d-9
0.290
BEN-VAN-c986b20b-16
0.289
BEN-VAN-c986b20b-3
0.289
STE-KUL-2e0d2e88-3
0.287
BEN-DND-22e6b372-3
0.287
SAM-UNK-2684b532-8
0.287
KIM-UNI-2ee5d8f9-1
0.286
BEN-VAN-c986b20b-15
0.286
BEN-VAN-c986b20b-1
0.286
ALE-HEI-f28a35b5-11
0.286
JAN-GHE-1d98ec1c-7
0.284
LON-WEI-b8d98729-4
0.284
MAR-TRE-67513f76-68
0.284
MAT-POS-590ac91e-6
0.284