MMsINC Database Search


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MMsINC code: MMs00095099

Type: Neutral
Formula: C₁₉H₁₄N₂O₂

SMILES:

Oc1c2ncccc2c(cc1)Cc1c2c(nccc2)c(O)cc1

InChI:

InChI=1/C19H14N2O2/c22-16-7-5-12(14-3-1-9-20-18(14)16)11-13-6-8-17(23)19-15(13)4-2-10-21-19/h1-10,22-23H,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.656 kcal/mol

Physical Properties
Molecular Weight: 302.333 g/mol	logS: -3.95444	SlogP: 3.78497	Reactive groups: 0

Topological Properties
Globularity: 0.153051	Sterimol/B1: 3.10943	Sterimol/B2: 3.70287	Sterimol/B3: 3.92687
Sterimol/B4: 7.23134	Sterimol/L: 13.2431

Surface and Volume Properties
Accessible surface: 513.634	Positive charged surface: 329.783	Negative charged surface: 174.849	Volume: 283.5
Hydrophobic surface: 375.645	Hydrophilic surface: 137.989

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.