Molecular Properties | |
SMILES: | CN(CO)c1ccc([C@@H]2Nc3nc(C(F)(F)F)nn3C(N)=C2C#N)c(CN)c1 |
MW: | 394.15 |
Fraction sp3: | 0.31 |
HBA: | 9 |
HBD: | 4 |
Rotatable Bonds: | 4 |
TPSA: | 142.04 |
cLogP: | 0.96 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_CH2O_acetal
het-C-het not in ring
N,N-Dialkyl aniline derivatives (4)
anil_di_alk_D(198)
DAV-UNK-daa7da46-1
0.790
UNK-CYC-68f84b31-31
0.203
SAL-INS-1c7a5a55-3
0.197
VIK-SYN-9a3d118a-8
0.196
SAL-INS-1c7a5a55-4
0.194
GAB-REV-70cc3ca5-19
0.193
MAR-UNI-9d4da90d-6
0.192
UNK-CYC-68f84b31-73
0.189
ALP-POS-79636100-3
0.186
MAR-TRE-a3327163-85
0.186
ROB-CAM-4c532489-1
0.186
MED-COV-4280ac29-4
0.186
MAK-UNK-849bee6c-15
0.185
UNK-CYC-68f84b31-32
0.183
LUI-IND-a1be81af-3
0.183
MAK-UNK-e4a48a85-17
0.183
THO-SYG-98fc3427-5
0.183
WAR-XCH-b6889685-5
0.182
UNK-CYC-68f84b31-46
0.182
NIR-THE-0d6461ce-12
0.181
MAR-TRE-a3327163-78
0.181
INS-INS-bc954fb0-1
0.181
MED-COV-4280ac29-38
0.180
JOO-PER-74f994a9-1
0.180
SAL-INS-1c7a5a55-2
0.180
UNK-CYC-68f84b31-7
0.179
IVS-FNM-fbbb64fc-1
0.178
MAR-TRE-1c920f6f-79
0.178
MAR-TRE-0fda4e82-78
0.178
MAK-UNK-849bee6c-14
0.178
AAR-RCN-845f9611-1
0.178
MIC-UNK-df342a3f-2
0.177
UNK-CYC-68f84b31-83
0.177
ABI-SAT-aa268ad7-6
0.177
WAR-XCH-b6889685-6
0.177
ALP-POS-6495d03e-6
0.177
TRY-UNI-2eddb1ff-6
0.176
RAL-THA-901e9a10-3
0.176
JAN-UNI-2e92c4b1-3
0.176
PET-SGC-39d74636-2
0.176
SAL-INS-1c7a5a55-9
0.175
PAT-UNK-b2d83456-1
0.175
TRY-UNI-9f475305-1
0.175
UNK-CYC-68f84b31-37
0.174
UNK-CYC-68f84b31-47
0.174
WIL-UNI-d4749f31-34
0.174
ALP-POS-6495d03e-3
0.174
JON-UNI-bb9dc649-4
0.173
ALP-POS-bb8a3193-8
0.172
NIR-THE-0d6461ce-6
0.172
VLA-UCB-00f2c2b3-3
0.172
ANT-DIA-3c79be55-3
0.172
UNK-CYC-68f84b31-11
0.172
ANT-OPE-3d7cb11b-3
0.172
EDG-MED-4b32601a-2
0.172
SEA-TRI-f93fcab4-1
0.172
EDG-MED-fe7487f8-1
0.172
TRY-UNI-69298daf-6
0.172
MAR-TRE-143fb005-2
0.172
MIC-UNK-e8a42ca9-1
0.172
THO-SYG-98fc3427-7
0.172
PET-SGC-39d74636-1
0.171
ALP-POS-c56c1477-2
0.171
MAR-TRE-14ce9fd6-4
0.171
EDJ-MED-c8e7a002-6
0.171
NIR-THE-0d6461ce-10
0.171
JUL-TUD-06b2044f-64
0.171
ABI-SAT-a53b70f8-1
0.171
THO-SYG-4e0386bb-2
0.171
TRY-UNI-9f475305-6
0.171
UNK-CYC-68f84b31-80
0.171
FRA-DIA-3f9ae552-3
0.170
THO-SYG-98fc3427-6
0.170
UNK-CYC-68f84b31-67
0.170
MAR-TRE-1c920f6f-22
0.170
AAR-RCN-28a8122f-1
0.170
HAR-NEW-e34cb1ae-8
0.170
TRY-UNI-69298daf-4
0.169
MAK-UNK-849bee6c-8
0.169
THO-SYG-4e0386bb-3
0.169
DUN-NEW-f8ce3686-18
0.169
UNK-CYC-68f84b31-90
0.169
LON-WEI-1908424e-5
0.169
UNK-CYC-68f84b31-51
0.169
BRU-THA-92256091-33
0.169
ALP-POS-bb8a3193-9
0.169
MAK-UNK-72659d64-14
0.168
JAN-GHE-fd8d85a5-5
0.168
PET-SGC-34dcf0dc-1
0.168
MAR-TRE-6c5ef77a-47
0.168
MAR-TRE-f5c2d31c-6
0.168
UNK-CYC-68f84b31-91
0.168
ALP-POS-c0c213c9-16
0.168
UNK-CYC-68f84b31-43
0.168
THO-SYG-98fc3427-4
0.168
VLA-UNK-61877630-9
0.168
VLA-UNK-e334495f-3
0.168
FRA-DIA-8640f307-2
0.168
UNK-CYC-68f84b31-54
0.167
MIC-UNK-e8a42ca9-2
0.167