Molecular Properties | |
SMILES: | CC(=O)N1CCN(CNC(=N)Nc2ccc(F)cc2)CC1 |
MW: | 293.346 |
Fraction sp3: | 0.43 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 3 |
TPSA: | 71.46 |
cLogP: | 0.88357 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_CH2O_acetal
imine
imine
Methylendiamines (2)
acyclic N-C-N
Imine 3
AAR-POS-d2a4d1df-11
ISA-SCH-8e98219b-3
0.540
MAR-TRE-6a44bbf2-47
0.433
BEN-DND-6de5dfa0-26
0.371
MAR-TRE-6a44bbf2-85
0.348
JAN-GHE-fd8d85a5-10
0.342
JOH-UNI-c7afdb96-14
0.333
MAR-TRE-a3327163-54
0.333
ISA-SCH-8e98219b-1
0.333
MAK-UNK-6435e6c2-3
0.328
MAR-TRE-7f7bb9f0-26
0.325
BEN-DND-6de5dfa0-23
0.324
MAK-UNK-6435e6c2-2
0.323
KIM-UNI-7d12df64-3
0.319
BEN-DND-6de5dfa0-22
0.315
WIL-LEE-23e8b574-2
0.314
BEN-DND-6de5dfa0-21
0.312
BEN-VAN-d8fd1356-21
0.312
BEN-DND-6de5dfa0-20
0.312
EDJ-MED-3c65e9ce-1
0.311
BEN-DND-93268d01-8
0.311
BEN-DND-6de5dfa0-18
0.311
JAN-GHE-1d98ec1c-7
0.308
LON-WEI-b8d98729-4
0.308
WIL-LEE-23e8b574-3
0.307
BEN-DND-6de5dfa0-19
0.307
MAR-TRE-6a44bbf2-12
0.306
MAR-TRE-e86a56b5-38
0.298
BEN-DND-6de5dfa0-24
0.297
ANT-OPE-d972fbad-1
0.294
EDJ-MED-3c65e9ce-3
0.293
MAR-TRE-f5c2d31c-38
0.292
DAN-MCD-c163c0bb-1
0.292
CAS-DEP-751a2458-6
0.292
JAN-GHE-1d98ec1c-9
0.291
JON-UNI-bb9dc649-4
0.288
EDJ-MED-3c65e9ce-2
0.287
NIR-THE-d08c3b48-1
0.287
BEN-DND-6de5dfa0-11
0.287
BEN-VAN-d8fd1356-24
0.287
ALP-POS-6747fa38-1
0.287
VLA-UCB-05e51b3f-1
0.287
NAU-LAT-a5c7d7cb-1
0.287
BEN-DND-6de5dfa0-17
0.286
NIM-UNI-ed9fc491-1
0.286
MAT-POS-162a9720-4
0.284
ALE-MCD-a1893bfb-1
0.284
PAT-UNK-b2d83456-4
0.282
BEN-VAN-c986b20b-16
0.280
BEN-VAN-c986b20b-2
0.280
BEN-VAN-c986b20b-17
0.280
WIL-LEE-23e8b574-4
0.278
MAK-UNK-e4a48a85-2
0.277
WAR-XCH-b6889685-26
0.276
MAR-TRE-7f7bb9f0-56
0.276
MAR-TRE-6a44bbf2-90
0.275
KIM-UNI-2ee5d8f9-1
0.275
PAT-UNK-b2d83456-1
0.274
JAN-GHE-1d98ec1c-2
0.273
BEN-DND-6de5dfa0-25
0.273
KIM-UNI-7d12df64-1
0.273
JAN-GHE-1d98ec1c-3
0.272
MED-COV-dea4df70-1
0.272
MAR-TRE-6c5ef77a-66
0.272
JOH-UNI-27ac80fd-31
0.271
MAK-UNK-6435e6c2-5
0.271
BEN-VAN-c986b20b-4
0.271
WIL-LEE-23e8b574-7
0.270
JAN-GHE-1d98ec1c-10
0.269
BEN-DND-6de5dfa0-27
0.269
MAK-UNK-212f693e-5
0.269
BEN-VAN-d8fd1356-20
0.268
JAN-GHE-1d98ec1c-5
0.268
BEN-DND-6de5dfa0-6
0.268
MAR-TRE-6c5ef77a-92
0.267
PAT-UNK-b2d83456-2
0.267
MAR-TRE-67513f76-23
0.267
JOH-UNI-c7afdb96-2
0.267
JAN-GHE-fd8d85a5-1
0.266
JOH-UNK-14e6adc5-7
0.266
BEN-VAN-c986b20b-10
0.265
MAR-TRE-d0525fbf-76
0.263
JAN-GHE-1d98ec1c-6
0.263
MAR-TRE-6a44bbf2-3
0.263
WIL-LEE-23e8b574-8
0.263
MAK-UNK-e4a48a85-1
0.263
KIM-UNI-7d12df64-2
0.263
RED-RED-10c9212c-2
0.262
BEN-VAN-c986b20b-15
0.262
MAK-UNK-902cc841-1
0.261
DRR-IMP-db50bf6e-1
0.261
MAK-UNK-6435e6c2-6
0.261
JOH-UNI-27ac80fd-1
0.261
PAT-UNK-b2d83456-3
0.260
NAU-LAT-3f5f3993-4
0.259
GAB-FAC-880f6604-1
0.258
MAR-TRE-7f7bb9f0-93
0.258
KUS-THE-322b9b63-25
0.257
JAN-GHE-fd8d85a5-8
0.256
JAN-GHE-fd8d85a5-9
0.256
JAN-GHE-1d98ec1c-4
0.256