Molecular Properties | |
SMILES: | CCOc1cc(CN2CCN(C(C)=O)CC2)cc(Cl)c1-c1cc(C)ncn1 |
MW: | 388.899 |
Fraction sp3: | 0.45 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 58.56 |
cLogP: | 3.16822 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
BEN-VAN-c986b20b-6
0.688
BEN-VAN-c986b20b-11
0.529
BEN-VAN-c986b20b-3
0.519
BEN-VAN-c986b20b-2
0.447
BEN-VAN-c986b20b-1
0.442
BEN-VAN-c986b20b-13
0.418
BEN-VAN-c986b20b-14
0.402
BEN-VAN-c986b20b-5
0.400
KIM-UNI-2ee5d8f9-1
0.395
BEN-VAN-c986b20b-10
0.367
BEN-VAN-c986b20b-18
0.357
BEN-VAN-c986b20b-8
0.351
HEI-REL-0c990a45-5
0.340
BEN-VAN-c986b20b-4
0.340
BEN-VAN-c986b20b-16
0.323
BEN-VAN-c986b20b-15
0.319
BEN-VAN-c986b20b-9
0.313
JAN-GHE-fd8d85a5-1
0.311
SAD-SAT-581007d4-2
0.310
MAK-UNK-6435e6c2-3
0.304
KIM-UNI-7d12df64-1
0.303
JAN-GHE-fd8d85a5-3
0.301
JAN-GHE-1d98ec1c-8
0.297
PAU-UNI-8cdd41c7-1
0.296
BEN-VAN-c986b20b-17
0.295
MAT-POS-2db6411e-2
0.294
WIL-LEE-23e8b574-2
0.294
WIL-LEE-23e8b574-4
0.294
SAD-SAT-581007d4-7
0.294
SAD-SAT-581007d4-8
0.291
PAT-UNK-b2d83456-1
0.291
MED-COV-4280ac29-33
0.289
HEI-REL-0c990a45-4
0.289
PAT-UNK-b2d83456-2
0.284
KIM-UNI-7d12df64-3
0.284
BEN-DND-6de5dfa0-26
0.281
SAD-SAT-581007d4-1
0.279
PAT-UNK-b2d83456-3
0.278
JAN-GHE-fd8d85a5-6
0.276
BEN-DND-6de5dfa0-19
0.275
WIL-LEE-23e8b574-3
0.275
JAN-GHE-1d98ec1c-2
0.275
JUL-TUD-06b2044f-85
0.274
JAN-GHE-1d98ec1c-3
0.274
BEN-VAN-d8fd1356-20
0.271
VLA-UCB-05e51b3f-3
0.269
MAK-UNK-6435e6c2-2
0.268
JAN-GHE-fd8d85a5-2
0.267
BEN-DND-6de5dfa0-24
0.267
KIM-UNI-7d12df64-4
0.266
JAN-GHE-1d98ec1c-1
0.266
BEN-VAN-d8fd1356-21
0.266
JOH-UNI-0e1753c1-1
0.264
BEN-DND-6de5dfa0-18
0.264
JOH-UNI-23d9e1b1-1
0.261
MAK-UNK-849bee6c-25
0.261
BEN-DND-6de5dfa0-25
0.261
SAD-SAT-581007d4-3
0.261
SAD-SAT-581007d4-4
0.261
JAN-GHE-fd8d85a5-10
0.261
JAN-GHE-1d98ec1c-4
0.260
BEN-DND-6de5dfa0-23
0.258
BEN-DND-6de5dfa0-27
0.258
BEN-DND-6de5dfa0-17
0.258
JAN-GHE-1d98ec1c-5
0.258
JOH-UNK-14e6adc5-7
0.255
JOH-UNK-14e6adc5-8
0.255
BEN-DND-6de5dfa0-22
0.253
BEN-DND-6de5dfa0-21
0.253
KIM-UNI-7d12df64-2
0.253
VIC-UNI-33d4332f-2
0.250
MAK-UNK-849bee6c-22
0.250
EDJ-MED-3c65e9ce-1
0.250
DRR-IMP-38dce17f-6
0.250
SAD-SAT-5b1897b2-5
0.250
BEN-DND-93268d01-8
0.250
AAR-POS-d2a4d1df-24
0.250
MAR-TRE-6a44bbf2-54
0.250
MAK-UNK-7c9d1431-16
0.250
MAK-UNK-849bee6c-2
0.248
TAM-UNI-d1c3dd9f-16
0.247
JAN-GHE-fd8d85a5-9
0.247
MAK-UNK-849bee6c-1
0.245
MAK-UNK-af83ef51-27
0.245
DAR-DIA-fb20be43-4
0.245
BRU-LEF-ae0885ba-1
0.245
PAU-UNI-52c0427f-1
0.245
MAK-UNK-849bee6c-23
0.243
MAK-UNK-af83ef51-22
0.243
JON-UIO-066ce08b-4
0.242
MAK-UNK-849bee6c-26
0.241
MAK-UNK-849bee6c-21
0.241
MAK-UNK-10dfa458-19
0.241
CHR-UNK-b46452fc-1
0.240
CHR-UNK-e061132b-1
0.240
JAN-GHE-1d98ec1c-6
0.240
MAK-UNK-10dfa458-13
0.239
JOH-UNI-0e1753c1-2
0.239
MED-COV-4280ac29-15
0.239
JOH-UNI-0e1753c1-3
0.239