Molecular Properties | |
SMILES: | Cc1nc2ncnn2c2ccn(CCN3CCOCC3)c(=O)c12 |
MW: | 314.15 |
Fraction sp3: | 0.47 |
HBA: | 8 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 77.55 |
cLogP: | 0.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3158514178 |
MolPort: | MolPort-021-743-325 |
Filter82_pyridinium
multiple aromatic rings
MAR-TRE-f5c2d31c-87
0.595
MAR-LAB-ca4662a6-5
0.318
MAR-TRE-d3c2bf0e-47
0.303
MAT-POS-b5746674-126
0.290
MAR-TRE-c317dd82-23
0.287
DAR-DIA-6a49afbe-6
0.282
DAR-DIA-6a49afbe-5
0.277
MAR-TRE-3159af1a-17
0.274
BEN-DND-93268d01-10
0.273
LON-WEI-4d77710c-16
0.269
MAT-POS-2492181e-11
0.269
MAT-POS-b5746674-109
0.269
LON-WEI-5e7d1b3e-16
0.269
MAR-TRE-3e4e6814-25
0.266
MAR-TRE-c317dd82-69
0.265
MAR-TRE-a3327163-41
0.264
ALP-POS-a3de0cb1-11
0.261
JOR-UNI-61e7b1d5-17
0.261
MAR-TRE-a9136c7b-11
0.257
ALP-POS-88a7a97e-47
0.256
JOR-UNI-61e7b1d5-11
0.256
MAK-UNK-748f8b7a-11
0.256
ALP-POS-780445ae-2
0.256
SAD-SAT-7d5528d9-3
0.255
JOR-UNI-2fc98d0b-6
0.255
ALP-POS-780445ae-1
0.252
EDG-MED-4c68219f-4
0.252
JOR-UNI-2fc98d0b-9
0.250
ALP-POS-02c6a514-55
0.250
AGN-NEW-5f02c22c-1
0.250
MAR-TRE-fd17a9b8-7
0.250
MED-COV-4280ac29-22
0.250
EDG-MED-90036822-14
0.250
KAD-UNI-cb0f2bbc-18
0.246
MAT-POS-61f37a1a-9
0.246
LON-WEI-adc59df6-25
0.246
MAR-TRE-67513f76-19
0.245
MAK-UNK-9955b1f3-16
0.245
MAR-TRE-7f7bb9f0-71
0.243
MAK-UNK-0b1cbb06-1
0.242
MAR-TRE-c317dd82-26
0.242
MAR-TRE-fd17a9b8-68
0.242
MAR-TRE-f5c2d31c-78
0.242
MAR-TRE-dab8f6ea-29
0.242
DAR-DIA-5d6f1b43-13
0.241
MAR-TRE-d3c2bf0e-64
0.241
MAR-TRE-fd17a9b8-36
0.241
JUA-UNI-bc099708-3
0.240
MAR-TRE-c317dd82-10
0.239
SEA-TRI-67e8f1c7-1
0.239
MAK-UNK-9955b1f3-15
0.239
AGN-NEW-c197b967-2
0.238
MAR-TRE-3159af1a-71
0.238
WIL-UNI-d4749f31-8
0.238
MAR-TRE-e82e6c98-52
0.237
MAR-TRE-fd17a9b8-87
0.237
MAR-TRE-c317dd82-27
0.236
JOR-UNI-2fc98d0b-1
0.236
MAR-LAB-ff9967db-17
0.235
MAR-TRE-c317dd82-81
0.235
JOR-UNI-61e7b1d5-16
0.234
MAR-TRE-3159af1a-82
0.234
SAD-SAT-f0a2747f-5
0.234
MAR-TRE-fd17a9b8-20
0.234
DAR-DIA-ecdbc7dd-5
0.233
MAR-TRE-d0525fbf-26
0.233
SAD-SAT-7d5528d9-1
0.233
MAR-TRE-3159af1a-88
0.232
MAR-TRE-9c797165-64
0.232
MAR-TRE-c317dd82-45
0.231
SIM-DEM-2843056b-1
0.231
BAR-COM-4e090d3a-45
0.231
JOR-UNI-61e7b1d5-10
0.231
WIL-UNI-2a57d06c-26
0.230
AAR-POS-0daf6b7e-28
0.229
KAD-UNI-cb0f2bbc-17
0.229
MAT-POS-61f37a1a-8
0.229
BAR-COM-0f94fc3d-33
0.229
DAR-DIA-ecdbc7dd-10
0.228
KUS-THE-322b9b63-19
0.227
MAR-TRE-9c797165-29
0.227
MAT-POS-b5746674-9
0.227
DAR-DIA-8e329c92-8
0.227
MAR-TRE-fd17a9b8-72
0.226
JOR-UNI-61e7b1d5-4
0.226
DAR-DIA-43a5904b-16
0.225
MAR-TRE-3e4e6814-16
0.224
MAR-TRE-67513f76-15
0.224
MAR-TRE-d0525fbf-99
0.223
SAD-SAT-f25ee457-9
0.222
MAK-UNK-9955b1f3-2
0.222
MAK-UNK-10799360-23
0.221
EDJ-MED-1981ceba-1
0.221
MAR-TRE-c8530538-2
0.221
PET-SGC-6016d8e6-1
0.220
MAR-TRE-9c797165-3
0.220
WIL-LEE-1f71e281-1
0.220
MAR-TRE-c317dd82-96
0.220
ALP-UNI-dbbfd3db-18
0.220
EDJ-MED-ee07cf00-1
0.220