Molecular Properties | |
SMILES: | CC(=O)N1CCN(Cc2ccc(-c3cc(C)ncn3)c(Cl)c2)CC1 |
MW: | 344.846 |
Fraction sp3: | 0.39 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 49.33 |
cLogP: | 2.76952 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
BEN-VAN-c986b20b-2
0.706
BEN-VAN-c986b20b-5
0.700
BEN-VAN-c986b20b-1
0.696
BEN-VAN-c986b20b-10
0.589
BEN-VAN-c986b20b-13
0.564
BEN-VAN-c986b20b-8
0.558
BEN-VAN-c986b20b-7
0.519
BEN-VAN-c986b20b-18
0.518
BEN-VAN-c986b20b-4
0.506
BEN-VAN-c986b20b-16
0.468
BEN-VAN-c986b20b-15
0.463
BEN-VAN-c986b20b-6
0.447
BEN-VAN-c986b20b-17
0.432
BEN-VAN-c986b20b-9
0.430
JUL-TUD-06b2044f-85
0.390
KIM-UNI-2ee5d8f9-1
0.375
PAT-UNK-b2d83456-1
0.368
PAT-UNK-b2d83456-3
0.367
PAT-UNK-b2d83456-2
0.359
JAN-GHE-1d98ec1c-4
0.357
JAN-GHE-1d98ec1c-3
0.357
WIL-LEE-23e8b574-2
0.355
WIL-LEE-23e8b574-4
0.355
JAN-GHE-1d98ec1c-8
0.354
MAK-UNK-6435e6c2-3
0.352
JAN-GHE-1d98ec1c-1
0.349
JAN-GHE-1d98ec1c-2
0.346
WIL-LEE-23e8b574-3
0.346
HEI-REL-0c990a45-4
0.341
BEN-VAN-c986b20b-14
0.341
BEN-VAN-c986b20b-11
0.340
JOH-UNI-23d9e1b1-1
0.333
JAN-GHE-fd8d85a5-3
0.326
KIM-UNI-7d12df64-3
0.325
HEI-REL-0c990a45-5
0.322
JAN-GHE-fd8d85a5-1
0.321
AAR-POS-d2a4d1df-24
0.321
JOH-UNI-0e1753c1-1
0.317
KIM-UNI-7d12df64-1
0.313
MAK-UNK-6435e6c2-2
0.311
JOH-UNI-0e1753c1-2
0.308
HYO-UNK-49a60884-1
0.308
AAR-POS-d2a4d1df-35
0.308
UNK-UNK-2ede4078-98
0.308
JOH-UNI-0e1753c1-3
0.308
MED-COV-4280ac29-15
0.308
MIH-UNI-6b9ca91a-9
0.304
SAD-SAT-581007d4-2
0.304
MAK-UNK-7c9d1431-18
0.302
SAD-SAT-5b1897b2-5
0.301
MAR-TRE-6a44bbf2-54
0.301
MAK-UNK-7c9d1431-16
0.301
DRR-IMP-38dce17f-2
0.300
MAK-UNK-6ca90168-13
0.300
MAK-UNK-af83ef51-10
0.295
MAK-UNK-7c9d1431-29
0.293
JAN-GHE-1d98ec1c-5
0.292
SAD-SAT-1f400d17-6
0.289
JOK-SYG-18591e8f-1
0.289
BEN-DND-6de5dfa0-26
0.289
JAN-GHE-fd8d85a5-2
0.287
MAK-UNK-7c9d1431-14
0.286
TAM-UNI-d1c3dd9f-19
0.286
CHR-UNK-b46452fc-1
0.284
CHR-UNK-e061132b-1
0.284
AHN-SAT-02ef6d10-10
0.284
JAN-GHE-fd8d85a5-6
0.283
JAN-GHE-fd8d85a5-10
0.282
BEN-DND-6de5dfa0-19
0.282
SEL-UNI-cd366922-8
0.280
TAM-UNI-d1c3dd9f-5
0.280
MAK-UNK-849bee6c-9
0.280
BEN-DND-6de5dfa0-17
0.279
BEN-DND-6de5dfa0-27
0.279
BEN-VAN-d8fd1356-20
0.278
MAK-UNK-7c9d1431-21
0.277
JOH-UNK-14e6adc5-7
0.276
JUL-TUD-06b2044f-30
0.275
JOH-UNK-14e6adc5-8
0.275
MAK-UNK-849bee6c-15
0.275
BEN-DND-6de5dfa0-24
0.274
BEN-DND-6de5dfa0-22
0.274
BEN-VAN-d8fd1356-21
0.273
PAU-UNI-8cdd41c7-1
0.273
DRR-IMP-38dce17f-6
0.273
KIM-UNI-7d12df64-2
0.273
SAD-SAT-581007d4-7
0.272
MAK-UNK-7c9d1431-20
0.272
MAT-POS-2db6411e-2
0.272
MAK-UNK-849bee6c-14
0.271
SEA-TRI-146a67b6-1
0.271
MAT-POS-ee51dedd-1
0.271
SAD-SAT-2ceae68f-8
0.271
BEN-DND-6de5dfa0-18
0.271
JUL-TUD-06b2044f-116
0.270
ANT-OPE-d972fbad-1
0.269
VIT-UNK-cff011c0-2
0.269
MAK-UNK-849bee6c-7
0.269
SAD-SAT-581007d4-8
0.268
BEN-DND-6de5dfa0-25
0.267