Molecular Properties | |
SMILES: | CN(C)c1ccc([C@@H]2Nc3nc(C(F)(F)F)nn3C(N)=C2C#N)c(CN)c1 |
MW: | 378.15 |
Fraction sp3: | 0.31 |
HBA: | 8 |
HBD: | 3 |
Rotatable Bonds: | 3 |
TPSA: | 121.81 |
cLogP: | 1.64 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N,N-Dialkyl aniline derivatives (4)
anil_di_alk_D(198)
DAV-UNK-daa7da46-2
0.790
UNK-CYC-68f84b31-31
0.202
UNK-CYC-68f84b31-73
0.188
SAL-INS-1c7a5a55-3
0.185
ALP-POS-79636100-3
0.184
PET-UNK-fe31e24a-2
0.184
DAR-DIA-093892e4-1
0.184
VIK-SYN-9a3d118a-8
0.183
SAL-INS-1c7a5a55-4
0.182
DAR-DIA-093892e4-8
0.181
THO-SYG-98fc3427-5
0.181
UNK-CYC-68f84b31-32
0.181
DAR-DIA-093892e4-5
0.180
WAR-XCH-b6889685-5
0.179
MAR-UNI-9d4da90d-6
0.178
AAR-RCN-28a8122f-1
0.178
ALP-POS-87c86d55-1
0.178
UNK-CYC-68f84b31-80
0.177
JOO-PER-74f994a9-1
0.177
IVS-FNM-fbbb64fc-1
0.176
DAR-DIA-093892e4-6
0.176
MAT-POS-90fd5f68-25
0.175
PET-UNK-d899bab6-1
0.175
AAR-RCN-845f9611-1
0.175
AAR-RCN-521d1733-1
0.175
JAN-UNI-2e92c4b1-4
0.175
MAR-TRE-14ce9fd6-53
0.175
ABI-SAT-aa268ad7-9
0.175
ALP-POS-6495d03e-6
0.175
PET-UNK-fe31e24a-6
0.175
ROB-CAM-4c532489-1
0.175
ABI-SAT-aa268ad7-6
0.174
DAR-DIA-093892e4-2
0.173
MAR-TRE-fffca54f-17
0.173
EDJ-MED-e66f2cc5-1
0.173
AGN-NEW-c197b967-2
0.173
SAL-INS-1c7a5a55-9
0.172
UNK-CYC-68f84b31-47
0.172
UNK-CYC-68f84b31-37
0.172
ALP-POS-6495d03e-3
0.171
WIL-UNI-d4749f31-34
0.171
PET-UNK-fe31e24a-4
0.171
UNK-CYC-68f84b31-46
0.171
INS-INS-bc954fb0-1
0.170
PET-UNK-19e211a9-10
0.170
MAT-POS-78ab8081-6
0.170
ALP-POS-bb8a3193-8
0.170
NIR-THE-0d6461ce-6
0.170
EDG-MED-4b32601a-2
0.169
EDG-MED-fe7487f8-1
0.169
UNK-CYC-68f84b31-11
0.169
ANT-OPE-3d7cb11b-3
0.169
TRY-UNI-69298daf-6
0.169
THO-SYG-98fc3427-7
0.169
DAR-DIA-f6ee7aeb-2
0.169
PET-SGC-39d74636-1
0.168
PET-SGC-708ec5d8-1
0.168
EDJ-MED-e66f2cc5-2
0.168
EDJ-MED-c8e7a002-6
0.168
JUL-TUD-06b2044f-64
0.168
SAL-INS-1c7a5a55-2
0.168
UNK-CYC-68f84b31-67
0.168
BRU-THA-92256091-33
0.167
PET-UNK-48ab5cd7-1
0.167
TRY-UNI-69298daf-4
0.167
MAR-TRE-1c920f6f-22
0.167
UNK-CYC-68f84b31-7
0.167
PET-UNK-67cd1298-1
0.167
MED-COV-4280ac29-38
0.167
ALP-POS-bb8a3193-9
0.167
ALP-POS-ced8ea4d-18
0.166
VLA-UNK-61877630-9
0.165
VLA-UNK-e334495f-3
0.165
ALP-POS-ced8ea4d-45
0.165
THO-SYG-98fc3427-4
0.165
MAK-UNK-b7886382-5
0.165
MIC-UNK-df342a3f-2
0.165
UNK-CYC-68f84b31-43
0.165
UNK-CYC-68f84b31-83
0.165
MAR-TRE-f5c2d31c-6
0.165
MAR-TRE-6c5ef77a-47
0.165
JOR-UNI-61e7b1d5-9
0.165
MAT-POS-90fd5f68-7
0.165
JAN-GHE-fd8d85a5-5
0.165
GAB-REV-df64cf17-17
0.165
PET-SGC-34dcf0dc-1
0.165
RAJ-NOV-842d5654-2
0.165
MAK-UNK-7732b35b-33
0.165
MAK-UNK-72659d64-14
0.165
DAR-DIA-bd041b9b-31
0.164
WIL-UNI-354943b6-2
0.164
ALE-ALC-890838c9-1
0.164
ALE-ALC-9a85a81e-1
0.164
UNK-CYC-68f84b31-78
0.164
RAL-THA-901e9a10-3
0.164
TRY-UNI-2eddb1ff-6
0.164
RIT-HTT-61afd604-1
0.164
EDJ-MED-c8e7a002-5
0.164
DOU-UNK-b5326f8f-16
0.164
NAU-LAT-e1818702-4
0.164