Molecular Properties | |
SMILES: | c1ccc(OCC2(c3ccccn3)CCCC2)nc1 |
MW: | 254.333 |
Fraction sp3: | 0.38 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 35.01 |
cLogP: | 3.3674 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-1bb0b7ee-2
0.508
AAR-POS-0daf6b7e-22
0.500
MAK-UNK-1bb0b7ee-4
0.392
MAK-UNK-a7992eb3-17
0.390
MAK-UNK-a7992eb3-24
0.388
MAK-UNK-1bb0b7ee-5
0.386
MAK-UNK-a7992eb3-9
0.381
MAK-UNK-1bb0b7ee-3
0.370
MAK-UNK-a7992eb3-30
0.360
MAK-UNK-1bb0b7ee-6
0.288
MAK-UNK-a7992eb3-23
0.269
MAK-UNK-1bb0b7ee-8
0.253
MAK-UNK-a7992eb3-16
0.237
MAK-UNK-a7992eb3-8
0.230
WAR-XCH-b0339bbe-13
0.226
AAR-POS-0daf6b7e-37
0.224
CHR-SOS-f7373dd1-4
0.221
WAR-XCH-b0339bbe-17
0.217
WAR-XCH-b0339bbe-16
0.214
WAR-XCH-bdd24732-35
0.213
CHR-SOS-f7373dd1-5
0.213
MAK-UNK-1bb0b7ee-9
0.209
MAK-UNK-1bb0b7ee-7
0.207
CHR-SOS-f7373dd1-6
0.207
WAR-XCH-e55cba98-1
0.207
CHR-SOS-b301fc01-1
0.205
WAR-XCH-bdd24732-42
0.200
NJA-MAN-b8640440-16
0.200
SAD-SAT-5b1897b2-3
0.200
CHR-SOS-f7373dd1-1
0.200
WAR-XCH-e55cba98-13
0.198
AND-WAB-bfd3647f-1
0.198
AND-WAB-6ed53ced-1
0.198
DRR-IMP-38dce17f-5
0.197
WAR-XCH-bdd24732-44
0.196
NJA-MAN-b8640440-35
0.195
WAR-XCH-79d12f6e-16
0.195
MAR-TRE-7f7bb9f0-95
0.195
MAR-TRE-aca67d11-35
0.194
NJA-MAN-b8640440-17
0.193
NJA-MAN-b8640440-23
0.193
WAR-XCH-e55cba98-12
0.193
MAR-TRE-4b834d9a-44
0.192
CHR-SOS-f7373dd1-2
0.192
SAN-PRI-c9355cc8-1
0.192
AAR-POS-0daf6b7e-42
0.191
NJA-MAN-b8640440-6
0.190
WAR-XCH-bdd24732-43
0.189
SRE-UNK-f31cebfc-1
0.188
SRE-UNK-d6ec0668-1
0.188
ANT-DIA-045cfdc4-4
0.188
CHR-SOS-f7373dd1-3
0.188
MAK-UNK-a7992eb3-29
0.187
WAR-XCH-b0339bbe-1
0.186
MAR-TRE-9d18ae8c-13
0.186
NJA-MAN-b8640440-43
0.185
GIA-UNK-3f36037a-7
0.185
NJA-MAN-b8640440-45
0.184
NJA-MAN-b8640440-21
0.184
TRI-UNI-97428359-1
0.184
WAR-XCH-bdd24732-21
0.184
ALP-POS-c0ee8219-14
0.184
JON-UIO-066ce08b-3
0.183
CHR-SOS-70e4c98a-3
0.183
DRV-DNY-3e405af9-4
0.183
MAR-TRE-3159af1a-41
0.182
MAR-TRE-3159af1a-76
0.182
MAR-TRE-14ce9fd6-87
0.182
RIC-ARG-a8e88843-1
0.182
NJA-MAN-b8640440-19
0.182
MAR-TRE-14ce9fd6-1
0.181
NJA-MAN-b8640440-46
0.181
ALP-POS-c0ee8219-10
0.180
WAR-XCH-e55cba98-8
0.180
WAR-XCH-72a8c209-1
0.180
MAR-TRE-d3c2bf0e-57
0.179
CHR-SOS-70e4c98a-1
0.179
CHR-SOS-e960e883-2
0.178
MAR-TRE-1c920f6f-75
0.177
WAR-XCH-79d12f6e-15
0.177
NJA-MAN-b9fb953f-6
0.176
MAR-TRE-d0525fbf-81
0.176
NJA-MAN-b8640440-13
0.176
MAR-TRE-f6f5f473-47
0.176
MAR-TRE-c8530538-79
0.176
MAR-TRE-04c86cea-76
0.176
WAR-XCH-e55cba98-4
0.176
TRI-UNI-97428359-2
0.176
CHR-SOS-6c45c019-4
0.176
MAR-LAB-ca4662a6-10
0.176
BEN-DND-93268d01-4
0.175
NJA-MAN-b8640440-12
0.174
NJA-MAN-b8640440-15
0.174
NJA-MAN-b8640440-37
0.174
ALP-POS-c0ee8219-2
0.173
MAR-TRE-04c86cea-10
0.173
JON-UNI-93996c9d-11
0.173
CHR-SOS-70e4c98a-8
0.173
NJA-MAN-b9fb953f-4
0.172
SAD-SAT-7d5528d9-52
0.172