Molecular Properties | |
SMILES: | CC(=O)N1CCN(Cc2ccc(-c3cc(C)ncn3)c(F)c2Cl)CC1 |
MW: | 362.836 |
Fraction sp3: | 0.39 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 49.33 |
cLogP: | 2.90862 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
BEN-VAN-c986b20b-9
0.573
BEN-VAN-c986b20b-2
0.564
BEN-VAN-c986b20b-3
0.564
BEN-VAN-c986b20b-1
0.519
BEN-VAN-c986b20b-8
0.448
BEN-VAN-c986b20b-18
0.419
BEN-VAN-c986b20b-7
0.418
BEN-VAN-c986b20b-6
0.418
BEN-VAN-c986b20b-4
0.404
BEN-VAN-c986b20b-5
0.404
BEN-VAN-c986b20b-16
0.371
BEN-VAN-c986b20b-15
0.367
BEN-VAN-d8fd1356-20
0.360
JAN-GHE-fd8d85a5-10
0.353
KIM-UNI-7d12df64-3
0.349
BEN-VAN-c986b20b-10
0.341
BEN-VAN-c986b20b-17
0.341
KIM-UNI-7d12df64-1
0.337
BEN-VAN-c986b20b-14
0.333
JAN-GHE-fd8d85a5-3
0.333
JAN-GHE-fd8d85a5-1
0.330
JAN-GHE-fd8d85a5-2
0.323
BEN-VAN-c986b20b-11
0.320
KIM-UNI-2ee5d8f9-1
0.312
BEN-VAN-d8fd1356-21
0.311
BEN-VAN-d8fd1356-24
0.304
JUL-TUD-06b2044f-30
0.298
KIM-UNI-7d12df64-2
0.297
HEI-REL-0c990a45-4
0.292
MAK-UNK-6435e6c2-3
0.291
JAN-GHE-fd8d85a5-8
0.290
JAN-GHE-fd8d85a5-9
0.290
JUL-TUD-06b2044f-119
0.289
MAK-UNK-6435e6c2-2
0.287
JON-UIO-066ce08b-16
0.283
WIL-LEE-23e8b574-2
0.282
WIL-LEE-23e8b574-4
0.282
MAK-UNK-7c9d1431-20
0.282
JUL-TUD-06b2044f-128
0.281
JON-UIO-066ce08b-9
0.281
PAT-UNK-b2d83456-3
0.281
PAT-UNK-b2d83456-1
0.279
BEN-VAN-d8fd1356-23
0.278
JAN-GHE-fd8d85a5-6
0.278
JAN-GHE-1d98ec1c-2
0.278
JAN-GHE-1d98ec1c-3
0.277
MED-COV-4280ac29-37
0.277
JAN-GHE-fd8d85a5-12
0.275
JAN-GHE-1d98ec1c-5
0.274
PAT-UNK-b2d83456-4
0.273
PAT-UNK-b2d83456-2
0.273
JAN-GHE-1d98ec1c-8
0.272
DAR-DIA-fb20be43-1
0.271
JUL-TUD-06b2044f-136
0.271
KEI-UNI-85a52787-4
0.270
DAR-DIA-fb20be43-10
0.269
JAN-GHE-1d98ec1c-1
0.269
CHR-UNK-e061132b-1
0.267
CHR-UNK-b46452fc-1
0.267
JON-UIO-066ce08b-11
0.267
BEN-DND-6de5dfa0-18
0.267
VIC-UNI-33d4332f-2
0.265
VIC-UNI-33d4332f-1
0.265
SAD-SAT-5b1897b2-2
0.264
JOO-PER-d7ab4f65-1
0.264
BEN-DND-6de5dfa0-19
0.264
WIL-LEE-23e8b574-3
0.264
DAV-CRI-d1e0885a-2
0.263
JUL-TUD-06b2044f-126
0.263
JUL-TUD-06b2044f-72
0.262
BEN-DND-6de5dfa0-27
0.261
BRU-LEF-ae0885ba-1
0.260
STE-UNK-13e151dd-1
0.260
PAU-UNI-52c0427f-1
0.260
DAR-DIA-fb20be43-4
0.260
JUL-TUD-06b2044f-29
0.260
JOH-UNK-14e6adc5-7
0.258
TAM-UNI-d1c3dd9f-18
0.258
JOH-UNK-14e6adc5-8
0.258
BEN-DND-6de5dfa0-26
0.256
BEN-DND-6de5dfa0-24
0.256
JOO-IND-6372a4f3-6
0.255
SAD-SAT-581007d4-2
0.253
SAD-SAT-65574d3f-10
0.253
BEN-DND-93268d01-8
0.253
EDJ-MED-3c65e9ce-1
0.253
DAR-DIA-fb20be43-2
0.253
HYO-UNK-50298ba0-1
0.253
KEI-UNI-85a52787-1
0.252
AHN-SAT-02ef6d10-10
0.250
BEN-DND-6de5dfa0-25
0.250
JOH-MSK-d60b0211-1
0.250
AAR-POS-d2a4d1df-41
0.250
TAT-ENA-80bfd3e5-20
0.250
BEN-VAN-77cef4f8-7
0.250
JOH-UNI-23d9e1b1-1
0.250
HEI-REL-0c990a45-5
0.250
EDJ-MED-3c65e9ce-2
0.250
JAN-GHE-1d98ec1c-4
0.250
TAM-UNI-d1c3dd9f-13
0.250