Molecular Properties | |
SMILES: | CCOc1cc(CN2CCN(C(C)=O)CC2)cc(F)c1-c1cc(CC)ncn1 |
MW: | 386.471 |
Fraction sp3: | 0.48 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 58.56 |
cLogP: | 2.9079 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
BEN-VAN-c986b20b-6
0.750
BEN-VAN-c986b20b-4
0.536
BEN-VAN-c986b20b-7
0.529
BEN-VAN-c986b20b-5
0.466
BEN-VAN-c986b20b-2
0.400
BEN-VAN-c986b20b-15
0.380
BEN-VAN-c986b20b-14
0.375
KIM-UNI-2ee5d8f9-1
0.346
BEN-VAN-c986b20b-3
0.340
BEN-VAN-c986b20b-16
0.340
BEN-VAN-c986b20b-1
0.337
BEN-VAN-c986b20b-17
0.326
BEN-VAN-c986b20b-18
0.320
BEN-VAN-c986b20b-13
0.320
BEN-VAN-c986b20b-8
0.313
HEI-REL-0c990a45-5
0.303
JAN-GHE-1d98ec1c-8
0.301
BEN-VAN-c986b20b-10
0.299
SAD-SAT-5b1897b2-5
0.297
MAK-UNK-6435e6c2-3
0.293
BEN-VAN-d8fd1356-20
0.289
JAN-GHE-fd8d85a5-1
0.287
BEN-VAN-d8fd1356-21
0.284
SAD-SAT-581007d4-1
0.284
PAT-UNK-b2d83456-1
0.281
WIL-LEE-23e8b574-3
0.280
KIM-UNI-7d12df64-1
0.280
MED-COV-4280ac29-33
0.280
JAN-GHE-fd8d85a5-10
0.280
JAN-GHE-1d98ec1c-2
0.280
JAN-GHE-1d98ec1c-3
0.278
PAT-UNK-b2d83456-2
0.275
PAU-UNI-8cdd41c7-1
0.271
SAD-SAT-581007d4-2
0.270
WIL-LEE-23e8b574-2
0.270
WIL-LEE-23e8b574-4
0.270
MAT-POS-2db6411e-2
0.270
SAD-SAT-581007d4-7
0.270
PAT-UNK-b2d83456-3
0.269
BEN-VAN-d8fd1356-24
0.265
JAN-GHE-fd8d85a5-3
0.265
MAK-UNK-af83ef51-27
0.261
KIM-UNI-7d12df64-3
0.261
JOH-UNK-14e6adc5-7
0.260
JOH-UNK-14e6adc5-8
0.260
MAK-UNK-6435e6c2-2
0.259
BEN-DND-6de5dfa0-24
0.258
JAN-GHE-1d98ec1c-1
0.258
BEN-DND-6de5dfa0-21
0.258
DRR-IMP-38dce17f-6
0.256
JAN-GHE-fd8d85a5-6
0.255
VIC-UNI-33d4332f-2
0.255
HEI-REL-0c990a45-4
0.255
BEN-VAN-c986b20b-9
0.255
MAK-UNK-849bee6c-25
0.254
SAD-SAT-581007d4-8
0.253
SAD-SAT-581007d4-3
0.253
SAD-SAT-581007d4-4
0.253
JAN-GHE-fd8d85a5-8
0.253
JAN-GHE-1d98ec1c-4
0.253
JAN-GHE-1d98ec1c-5
0.250
JAN-GHE-fd8d85a5-2
0.248
KIM-UNI-7d12df64-2
0.245
BEN-DND-6de5dfa0-22
0.245
VIC-UNI-33d4332f-1
0.243
JOH-UNI-0e1753c1-1
0.242
MAK-UNK-849bee6c-2
0.241
NIM-UNI-02269248-3
0.240
EDJ-MED-3c65e9ce-2
0.240
JAN-GHE-fd8d85a5-9
0.240
TAM-UNI-d1c3dd9f-16
0.240
SAD-SAT-5b1897b2-2
0.239
DRR-IMP-38dce17f-2
0.239
MAK-UNK-69e28b36-1
0.238
MAK-UNK-176ca439-6
0.238
MAK-UNK-af83ef51-21
0.237
MAK-UNK-849bee6c-20
0.237
BEN-DND-6de5dfa0-27
0.237
BEN-DND-6de5dfa0-23
0.237
DAR-DIA-fb20be43-1
0.235
MAK-UNK-849bee6c-21
0.235
MAK-UNK-af83ef51-19
0.233
DRR-IMP-38dce17f-5
0.233
MAK-UNK-849bee6c-22
0.233
JAN-GHE-1d98ec1c-6
0.232
BEN-DND-6de5dfa0-20
0.232
KIM-UNI-7d12df64-4
0.232
JOO-PER-d7ab4f65-1
0.232
MAK-UNK-af83ef51-14
0.232
MAK-UNK-849bee6c-8
0.232
BEN-DND-6de5dfa0-26
0.232
JON-UNI-bb9dc649-9
0.232
JOK-SYG-18591e8f-1
0.232
DRR-IMP-38dce17f-4
0.231
MAK-UNK-7c9d1431-29
0.230
BEN-DND-6de5dfa0-18
0.229
BEN-DND-93268d01-8
0.229
EDJ-MED-3c65e9ce-1
0.229
AAR-POS-d2a4d1df-24
0.228
MAK-UNK-af83ef51-17
0.228