Molecular Properties | |
SMILES: | c1ccc2ncc(CN3CC(Cc4ccoc4)C3)cc2c1 |
MW: | 278.355 |
Fraction sp3: | 0.28 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 29.27 |
cLogP: | 3.5023 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z2978535542 |
AAR-POS-d2a4d1df-1
BRU-UNI-248b30bc-22
0.354
MAR-TRE-92684b97-98
0.287
UNK-UNK-2ede4078-83
0.273
MAR-TRE-f6f5f473-67
0.263
JAR-KUA-672ec752-8
0.261
ALP-POS-3b848b35-3
0.261
MAR-TRE-aca67d11-28
0.247
RED-RED-10c9212c-24
0.237
MAR-TRE-f5c2d31c-48
0.223
UNK-UNK-2ede4078-80
0.222
UNK-UNK-2ede4078-100
0.222
MAR-TRE-92684b97-65
0.221
ALP-POS-bad7201a-2
0.217
MAR-TRE-f6f5f473-83
0.217
MAR-TRE-f6f5f473-33
0.216
ALP-POS-bad7201a-7
0.211
UNK-UNK-2ede4078-37
0.210
ALP-POS-bad7201a-3
0.208
WIL-UNI-d4749f31-25
0.207
LIZ-THE-8e85e675-1
0.202
DRA-CSI-47e38074-11
0.202
WIL-UNI-2a57d06c-11
0.202
DRV-DNY-5c7d8ee8-1
0.200
ALP-POS-8ed8d9ec-4
0.198
MAK-UNK-10dfa458-8
0.194
MAK-UNK-af83ef51-1
0.191
BAR-COM-4e090d3a-44
0.190
MAR-TRE-4b834d9a-29
0.190
ALP-POS-8ed8d9ec-1
0.190
DRV-DNY-5c7d8ee8-2
0.189
MAR-TRE-dab8f6ea-26
0.189
DRV-DNY-5c7d8ee8-4
0.188
GAB-REV-df64cf17-15
0.186
MIH-UNI-e573136b-3
0.186
BRU-UNI-418e22dc-3
0.186
AAR-POS-0daf6b7e-30
0.184
MAT-POS-b5746674-16
0.183
ALP-POS-8ed8d9ec-8
0.183
JUL-TUD-06b2044f-123
0.183
AAR-UNI-c25c2f1e-68
0.183
KAD-UNI-877d7bed-9
0.182
MAT-POS-162a9720-10
0.182
ALP-POS-bad7201a-13
0.182
PET-UNK-c5865d42-1
0.182
RED-RED-10c9212c-36
0.181
AAR-UNI-c25c2f1e-32
0.181
ALP-POS-8ed8d9ec-2
0.180
MAR-TRE-c8530538-22
0.180
MAR-TRE-c8530538-89
0.180
DRV-DNY-ae159ed1-18
0.180
SAD-SAT-7d5528d9-13
0.179
RED-RED-10c9212c-30
0.179
LIL-FNM-97d58b1d-1
0.179
WAR-XCH-bdd24732-34
0.178
JAR-KUA-8c13982c-13
0.178
GIA-UNK-595fac82-5
0.178
WIL-UNI-d4749f31-41
0.177
WAR-XCH-b0339bbe-15
0.176
WAR-XCH-bdd24732-33
0.176
MAR-TRE-dab8f6ea-41
0.176
JOH-ILL-da934517-1
0.176
MAT-POS-ea426761-53
0.176
ALP-POS-d0876c20-22
0.176
ALF-EVA-0e90125c-9
0.176
SAD-SAT-7d5528d9-42
0.176
LON-WEI-1908424e-3
0.175
SEA-TRI-8252c13b-1
0.175
EDJ-MED-fa7708b3-2
0.175
JAR-KUA-672ec752-2
0.174
DRV-DNY-5c7d8ee8-3
0.174
JAR-KUA-8c13982c-7
0.173
UNK-UNK-2ede4078-82
0.172
BRU-UNI-418e22dc-1
0.172
MAT-UNK-35705829-1
0.172
DUN-NEW-d8381160-1
0.172
MAT-POS-b5746674-3
0.171
MAK-UNK-e4a48a85-5
0.171
MIH-UNI-e573136b-1
0.171
BRU-UNI-248b30bc-14
0.171
MAT-UNK-f490e871-1
0.171
MAK-UNK-a7992eb3-19
0.171
MIH-UNI-6b9ca91a-6
0.170
JOO-PER-74f994a9-1
0.170
MAR-TRE-87acfbcc-73
0.170
MAK-UNK-a7992eb3-23
0.170
NJA-MAN-b8640440-4
0.170
DAV-IMP-59dd6621-2
0.170
BRU-UNI-248b30bc-16
0.169
BEN-DND-a02b439d-1
0.169
JOH-UNI-ededfdb6-6
0.169
ALP-POS-ced8ea4d-16
0.169
JOH-IMS-7e73aedd-4
0.169
ASH-SAT-43770c7d-3
0.168
MAR-TRE-9c797165-26
0.168
DAN-LON-a5fc619e-10
0.168
IND-SYN-6c8299e8-3
0.168
NJA-MAN-00c90aa2-4
0.168
SAD-SAT-7d5528d9-14
0.168
ALP-UNI-3735e77e-1
0.168
MAR-TRE-dab8f6ea-15
0.168