Molecular Properties | |
SMILES: | CN(CCO)CCCCNc1ncnn2c(F)ccc12 |
MW: | 281.335 |
Fraction sp3: | 0.54 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 65.69 |
cLogP: | 0.984599999999999 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
α-Halogen substituted N-heterocycles
Long aliphatic chain
AAR-POS-d2a4d1df-1
MAN-SYN-45e45961-1
0.391
MIC-FED-19b1f86d-4
0.244
MAN-SYN-45e45961-8
0.231
MAN-SYN-45e45961-7
0.209
ALP-POS-d0876c20-13
0.198
MAK-UNK-f2409524-3
0.194
MAR-TRE-f5c2d31c-92
0.193
MAR-TRE-a3327163-83
0.192
MAN-SYN-45e45961-4
0.191
MAR-TRE-423310b6-93
0.187
ALP-POS-d0876c20-18
0.186
WIL-UNI-1faa9b10-54
0.182
MAN-SYN-45e45961-5
0.181
MAK-UNK-9955b1f3-5
0.179
MAR-TRE-c317dd82-26
0.178
ALP-POS-88a7a97e-48
0.176
MAR-TRE-f5c2d31c-87
0.175
MAR-TRE-36bf7dba-39
0.173
ALP-POS-305f6ec3-31
0.172
ALP-POS-88a7a97e-22
0.168
ALP-POS-d0876c20-16
0.168
WIL-UNI-d4749f31-34
0.167
ALP-POS-d0876c20-17
0.167
ALP-POS-95f71980-8
0.167
MAN-SYN-45e45961-3
0.167
WIL-UNI-2a57d06c-26
0.167
MAR-TRE-f5c2d31c-90
0.167
ALP-POS-305f6ec3-50
0.167
ALP-POS-95f71980-4
0.165
AAR-POS-8a4e0f60-9
0.165
NJA-MAN-b8640440-39
0.165
UNK-UNK-2ede4078-57
0.165
ALP-POS-d0876c20-14
0.164
MAR-TRE-7f7bb9f0-78
0.163
NJA-MAN-b8640440-11
0.163
WIL-UNI-1faa9b10-45
0.163
ALP-POS-305f6ec3-55
0.163
LON-WEI-adc59df6-7
0.162
MAR-TRE-e82e6c98-92
0.162
ALP-POS-95f71980-41
0.162
ALP-POS-02c6a514-34
0.162
ALP-POS-d0876c20-10
0.161
MAR-TRE-a3327163-68
0.161
JOH-IMS-54aa76a2-6
0.161
ALP-POS-d0876c20-22
0.161
MAK-UNK-f2409524-8
0.161
LON-WEI-b8d98729-6
0.160
WIL-UNI-2e73223c-4
0.160
MAR-TRE-f5c2d31c-23
0.160
DAR-DIA-a80d16a0-9
0.160
DAR-DIA-37454fd7-1
0.160
MAR-TRE-e82e6c98-31
0.160
ALP-POS-88a7a97e-17
0.160
ALP-POS-305f6ec3-34
0.159
MAK-UNK-f2409524-15
0.159
MAR-TRE-67513f76-34
0.159
MAT-POS-ea426761-93
0.158
DAR-DIA-fb20be43-1
0.158
FRA-DIA-3f9ae552-2
0.158
ALP-POS-d0876c20-11
0.157
ALP-POS-95f71980-16
0.157
ALP-POS-d0876c20-3
0.157
MAK-UNK-af83ef51-31
0.157
NJA-MAN-b8640440-52
0.157
AAR-UNI-c25c2f1e-59
0.157
MAK-UNK-3ae66343-2
0.157
DAR-DIA-a80d16a0-4
0.157
DAR-DIA-a80d16a0-8
0.157
MAR-TRE-799db12b-75
0.157
MAK-UNK-f2409524-13
0.156
LON-WEI-adc59df6-29
0.156
ALP-POS-d0876c20-5
0.156
MAK-UNK-de9577cf-19
0.156
ALP-POS-305f6ec3-30
0.156
MAR-TRE-a9136c7b-80
0.155
ALP-POS-95f71980-37
0.155
ALP-POS-305f6ec3-51
0.155
ALP-POS-d0876c20-2
0.155
MAR-TRE-799db12b-66
0.155
GAB-REV-df64cf17-10
0.155
ALP-POS-88a7a97e-14
0.155
MAR-TRE-3159af1a-35
0.155
MAR-TRE-04c86cea-83
0.155
ALP-POS-305f6ec3-27
0.154
ALP-POS-305f6ec3-46
0.154
ALP-POS-02c6a514-22
0.154
MAK-UNK-8fdbca50-41
0.154
NJA-MAN-b8640440-34
0.154
MAT-POS-90fd5f68-15
0.154
ALP-POS-88a7a97e-3
0.154
ALP-POS-88a7a97e-46
0.154
KEN-UNI-c79d77dd-1
0.154
ALP-POS-95f71980-12
0.154
ALP-POS-88a7a97e-4
0.154
MAT-POS-90fd5f68-33
0.154
MAR-TRE-9c797165-15
0.154
EDJ-MED-b24713dc-4
0.154
ALP-POS-02c6a514-46
0.153
ALP-POS-02c6a514-50
0.153
ALP-POS-d0876c20-21
0.153