Molecular Properties | |
SMILES: | COc1ccnc(CC2CCN(C(C)=O)CC2)c1OC |
MW: | 278.16 |
Fraction sp3: | 0.6 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 51.66 |
cLogP: | 1.9 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JON-UNI-bb9dc649-5
0.416
DRA-CSI-47e38074-2
0.371
MAK-UNK-212f693e-16
0.354
JON-UNI-bb9dc649-8
0.351
JON-UNI-bb9dc649-13
0.333
JON-UNI-bb9dc649-18
0.325
DRA-CSI-47e38074-3
0.314
JON-UNI-bb9dc649-16
0.314
AAR-POS-fca48359-5
0.311
DRA-CSI-47e38074-15
0.305
JON-UNI-bb9dc649-3
0.296
DRA-CSI-47e38074-13
0.295
BEN-DND-6de5dfa0-21
0.287
WAR-XCH-b0339bbe-3
0.279
JON-UNI-bb9dc649-20
0.278
DRA-CSI-47e38074-12
0.278
DRA-CSI-47e38074-6
0.277
MAK-UNK-10dfa458-10
0.276
DRA-CSI-47e38074-11
0.275
MAK-UNK-212f693e-35
0.274
MAK-UNK-af83ef51-6
0.273
SAD-SAT-29425be4-22
0.272
MAK-UNK-212f693e-14
0.271
JON-UNI-bb9dc649-6
0.269
MAK-UNK-212f693e-2
0.268
JON-UIO-066ce08b-3
0.264
MAT-POS-ea426761-89
0.264
DRA-CSI-47e38074-4
0.260
LON-WEI-120e5cf5-3
0.259
MAK-UNK-212f693e-34
0.257
JUL-TUD-06b2044f-114
0.256
AAR-POS-fca48359-4
0.256
MAK-UNK-212f693e-32
0.253
DRA-CSI-47e38074-10
0.253
JON-UNI-bb9dc649-1
0.253
DRA-CSI-47e38074-14
0.250
NAU-LAT-3f5f3993-2
0.250
NIR-THE-0d6461ce-6
0.250
NAU-LAT-3f5f3993-3
0.250
MAR-TRE-6c5ef77a-34
0.250
MAR-TRE-3159af1a-69
0.247
DRA-CSI-47e38074-8
0.247
JON-UNI-bb9dc649-19
0.247
AMD-UAU-3d234461-1
0.247
JON-UNI-bb9dc649-4
0.247
DRA-CSI-47e38074-5
0.246
BEN-VAN-d8fd1356-28
0.244
JOH-UNK-14e6adc5-8
0.244
JOH-UNK-14e6adc5-7
0.244
MAK-UNK-10dfa458-40
0.244
JON-UIO-066ce08b-5
0.243
GIA-UNK-995df016-6
0.242
SIM-DEM-2843056b-7
0.242
BEN-VAN-d8fd1356-25
0.241
HEI-REL-0c990a45-3
0.241
SAD-SAT-29425be4-17
0.241
EMI-TUK-6c6b371f-1
0.241
EMI-TUK-b780fc43-1
0.241
BEN-DND-6de5dfa0-22
0.241
NIR-THE-0d6461ce-8
0.241
MAR-TRE-f6f5f473-48
0.239
JON-UNI-bb9dc649-12
0.238
SAD-SAT-5b1897b2-5
0.237
MAR-TRE-2fd8122f-55
0.237
WIL-LEE-23e8b574-4
0.237
DRA-CSI-47e38074-16
0.237
RED-RED-10c9212c-38
0.237
MAK-UNK-6435e6c2-1
0.236
LON-WEI-120e5cf5-17
0.235
AAR-POS-f650c5f2-4
0.235
AAR-POS-5507155c-2
0.235
LON-WEI-120e5cf5-1
0.235
MAK-UNK-af83ef51-5
0.235
MAK-UNK-7c9d1431-19
0.235
MAK-UNK-212f693e-3
0.234
ANT-STE-dbb91f63-3
0.233
NAU-LAT-3f5f3993-1
0.233
JON-UNI-bb9dc649-14
0.232
BEN-VAN-c986b20b-11
0.232
WIL-LEE-23e8b574-5
0.231
BEN-VAN-d8fd1356-27
0.231
GIA-UNK-595fac82-3
0.231
MEL-NAT-8c3652c8-3
0.231
DUN-NEW-f8ce3686-25
0.230
DRA-CSI-47e38074-7
0.230
BEN-VAN-c986b20b-10
0.230
JON-UNI-bb9dc649-2
0.229
RED-RED-10c9212c-26
0.228
MAR-TRE-dab8f6ea-23
0.228
MAR-TRE-be9ff7d2-88
0.228
MAR-TRE-fd17a9b8-50
0.227
MAK-UNK-af83ef51-9
0.227
NIR-THE-0d6461ce-2
0.227
MAK-UNK-f2409524-28
0.227
JON-UIO-066ce08b-1
0.227
WAR-XCH-b72a1bbc-23
0.227
MAR-TRE-6a44bbf2-82
0.226
LON-WEI-120e5cf5-13
0.226
MAR-TRE-6a44bbf2-45
0.226
MAK-UNK-7c9d1431-30
0.226