Molecular Properties | |
SMILES: | NC(=O)Cn1cnc2c(nnn2-c2cccc(Cl)c2)c1=O |
MW: | 304.05 |
Fraction sp3: | 0.08 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 108.69 |
cLogP: | 0.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9927667312 |
MolPort: | MolPort-003-042-599 |
Filter82_pyridinium
JAG-UCB-ef2c0e8e-4
0.345
MAR-TRE-67513f76-54
0.268
BEN-DND-02317c5c-11
0.264
BEN-DND-61647d40-13
0.264
JIN-POS-6dc588a4-1
0.264
EDJ-MED-c8e7a002-8
0.255
EDJ-MED-97c1bf5c-2
0.253
EDJ-MED-ee07cf00-3
0.250
JAG-UCB-252a2f58-1
0.250
PET-UNK-b870596d-1
0.247
BEN-DND-61647d40-12
0.247
MAT-POS-bfb445d4-1
0.247
MAT-POS-3b92565d-14
0.247
BEN-DND-02317c5c-12
0.247
SAD-SAT-65574d3f-9
0.247
NAU-LAT-e1818702-9
0.245
ALP-POS-6495d03e-7
0.245
PET-UNK-b870596d-2
0.242
HAO-BIO-c9aafde3-11
0.242
JAN-GHE-5a013bed-3
0.242
VLA-UNK-411a133b-1
0.241
MAR-TRE-fd17a9b8-41
0.241
NAU-LAT-56d5284e-1
0.240
MAT-POS-3b92565d-13
0.240
ERI-UCB-d6de1f3c-5
0.239
UNK-UNK-2ede4078-93
0.239
MAT-POS-0c8fa4a7-3
0.239
ERI-UCB-d6de1f3c-7
0.238
EDJ-MED-97c1bf5c-1
0.238
EDJ-MED-7bb79bc5-1
0.238
EDJ-MED-06d94977-2
0.237
VLA-UCB-1dbca3b4-3
0.237
BEN-DND-61647d40-11
0.237
MIC-UNK-c5a20098-2
0.235
ABI-SAT-ad50dfa5-1
0.235
JAG-UCB-77729364-1
0.235
MAT-POS-54c4bf04-3
0.235
UNK-CYC-68f84b31-29
0.234
EDG-MED-0da5ad92-18
0.233
ERI-UCB-d6de1f3c-2
0.233
MIC-UNK-c5a20098-1
0.232
JAN-GHE-5a013bed-5
0.232
NAU-LAT-e1818702-8
0.232
NAU-LAT-56d5284e-6
0.231
AGN-NEW-c7b24fe3-5
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EDG-MED-0da5ad92-17
0.231
SEA-TRI-9e600f3c-1
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DAR-DIA-5d6f1b43-9
0.230
ERI-UCB-a0b0dbcb-2
0.230
JAN-GHE-5a013bed-1
0.230
VLA-UNK-411a133b-2
0.230
EDJ-MED-c8e7a002-7
0.229
EDJ-MED-c8e7a002-17
0.229
MIC-UNK-c5a20098-3
0.229
UNK-CYC-68f84b31-39
0.228
NAU-LAT-e1818702-7
0.227
JAG-UCB-a3ef7265-17
0.227
JAN-GHE-5a013bed-4
0.227
ALP-POS-cd485364-1
0.227
DAR-DIA-5d6f1b43-2
0.227
UNK-CYC-68f84b31-44
0.226
CHO-MSK-00c5269a-1
0.226
MIC-UNK-02d7a284-3
0.226
JAN-GHE-5a013bed-2
0.226
NAU-LAT-56d5284e-7
0.225
NAU-LAT-56d5284e-5
0.225
DAR-DIA-5d6f1b43-8
0.225
EDJ-MED-49816e9b-5
0.225
ABI-SAT-ad50dfa5-2
0.224
ERI-UCB-d6de1f3c-8
0.224
JAN-GHE-5a013bed-9
0.224
MAT-POS-06036648-1
0.223
DAR-DIA-5a24bef0-11
0.223
JAN-GHE-f4ca5a00-9
0.223
VLA-UCB-eb340134-4
0.223
UNK-CYC-68f84b31-12
0.223
MAR-TRE-d0525fbf-6
0.223
MIC-UNK-bcd487e9-10
0.222
VLA-UCB-34f3ed0c-2
0.222
MAR-TRE-a9136c7b-76
0.222
DAR-DIA-bd041b9b-18
0.222
SEA-TRI-f62e8c25-1
0.222
MIC-UNK-25b9c114-2
0.222
MIC-UNK-f2576da4-1
0.222
EDG-MED-0da5ad92-15
0.222
MAT-POS-0c8fa4a7-2
0.222
MIC-UNK-02d7a284-2
0.222
DAR-DIA-5d6f1b43-24
0.221
UNK-CYC-68f84b31-10
0.221
MIC-UNK-02d7a284-1
0.221
JAN-GHE-f4ca5a00-10
0.221
JAG-UCB-c61058a9-4
0.221
ERI-UCB-d6de1f3c-1
0.221
JIN-POS-6dc588a4-2
0.221
VLA-UNK-0ffe3317-4
0.221
ALP-POS-76eab5ce-2
0.221
EDJ-MED-50fe53e8-3
0.221
BEN-DND-1e24cf73-1
0.221
ALP-POS-8b8a49e1-7
0.221
ALP-POS-75715966-5
0.220