Molecular Properties | |
SMILES: | CC1CN(C)CCN1c1ccc(C#N)nc1 |
MW: | 216.288 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 43.16 |
cLogP: | 1.09358 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1798321811 |
Enamine Extended REAL: | s_27____4545082____6671606 |
JOH-UNI-522b0723-1
0.571
JOH-UNI-522b0723-3
0.561
JOH-UNI-522b0723-6
0.534
JOH-UNI-522b0723-2
0.483
JOH-UNI-522b0723-5
0.475
AAR-POS-d2a4d1df-19
0.348
MAK-UNK-9955b1f3-10
0.270
MAK-UNK-9955b1f3-17
0.266
MAK-UNK-9955b1f3-9
0.254
MAK-UNK-9955b1f3-5
0.254
JOH-UNI-522b0723-12
0.247
MAR-TRE-a3327163-91
0.247
MAK-UNK-9955b1f3-11
0.243
JOH-UNI-522b0723-9
0.236
NIC-BIO-ec630548-3
0.233
MAK-UNK-9955b1f3-6
0.229
MAK-UNK-9955b1f3-8
0.225
NIC-BIO-29f4a211-1
0.221
PET-SGC-39d74636-2
0.215
JAN-UNI-2e92c4b1-3
0.215
ABI-SAT-95eab675-1
0.212
MAK-UNK-9955b1f3-12
0.211
JOH-UNI-9dc98897-3
0.208
JOH-UNI-522b0723-8
0.207
JOH-UNI-522b0723-13
0.204
JOH-UNI-522b0723-11
0.204
JOH-UNI-522b0723-7
0.202
ABI-SAT-aa268ad7-5
0.200
MAK-UNK-9955b1f3-7
0.198
NIC-BIO-ec630548-2
0.198
MAR-TRE-a3327163-94
0.198
MAK-UNK-7732b35b-1
0.196
FAB-NA_-a0010840-1
0.196
NIC-BIO-ec630548-4
0.196
MAK-UNK-9955b1f3-13
0.195
MAR-TRE-a3327163-56
0.195
JOH-UNI-9dc98897-6
0.195
JOH-UNI-9dc98897-9
0.195
MAK-UNK-7732b35b-14
0.194
NIR-THE-0d6461ce-6
0.193
MAR-UNI-9d4da90d-6
0.192
MAR-TRE-87acfbcc-60
0.192
JOH-UNI-9dc98897-1
0.192
WAR-XCH-b72a1bbc-23
0.192
SIM-DEM-4fb93ec7-1
0.191
MAR-TRE-0fda4e82-71
0.190
MAR-TRE-87acfbcc-42
0.190
MAK-UNK-ed378e62-6
0.190
AAR-RCN-9c8a34f0-1
0.190
ABI-SAT-aa268ad7-6
0.188
MAK-UNK-ed378e62-37
0.188
MAR-TRE-1c920f6f-76
0.188
JOH-UNI-9dc98897-8
0.188
MAK-UNK-c97f7c8f-1
0.188
ABI-SAT-aa268ad7-7
0.186
NIC-BIO-96ee2ca4-1
0.186
DAR-DIA-caba39e3-12
0.185
RIT-AID-1c9a4e61-1
0.185
JOH-UNK-14e6adc5-6
0.185
JOH-UNI-9dc98897-7
0.185
MAK-UNK-9955b1f3-1
0.184
MAR-TRE-87acfbcc-85
0.184
JAN-GHE-fd8d85a5-1
0.183
WAR-XCH-b6889685-15
0.183
VIK-SYN-9a3d118a-8
0.183
JAC-SHE-cfe9e938-1
0.182
AAR-RCN-390aeb1f-1
0.182
AAR-RCN-67438d21-1
0.182
MAT-UNK-1d9ee2ed-1
0.181
WAR-XCH-b6889685-19
0.181
MAR-TRE-1c920f6f-10
0.181
AUS-ARG-7cfdce8f-1
0.181
MAT-UNK-673d6610-1
0.180
MAK-UNK-acefcb18-17
0.179
MAR-TRE-a3327163-61
0.179
MAK-UNK-ed378e62-2
0.179
MAR-TRE-0fda4e82-62
0.178
MAR-TRE-7f7bb9f0-31
0.178
MAT-UNK-88dc5cbd-1
0.178
JON-UNI-bb9dc649-9
0.177
FAB-NA_-a0010840-3
0.177
UNK-CYC-68f84b31-27
0.176
BEN-VAN-77cef4f8-9
0.176
MAT-UNK-0990acaa-1
0.176
MAK-UNK-516d8086-32
0.176
MAK-UNK-7732b35b-33
0.176
MAK-UNK-acefcb18-18
0.175
WAR-XCH-b72a1bbc-34
0.174
DAR-DIA-fb20be43-4
0.174
PAU-UNI-52c0427f-1
0.174
MAK-UNK-acefcb18-16
0.174
JAN-GHE-fd8d85a5-5
0.174
BRU-LEF-ae0885ba-1
0.174
MAR-TRE-6c5ef77a-95
0.174
MAK-UNK-ed378e62-31
0.174
NIC-BIO-29f4a211-2
0.174
MAK-UNK-7732b35b-17
0.174
MAK-UNK-ec98eaf6-22
0.174
NIC-BIO-ec630548-1
0.174
FAB-NA_-a0010840-2
0.174