MMsINC Database Search


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MMsINC code: MMs02309330

Type: Neutral
Formula: C₁₆H₁₂N₂O₂

SMILES:

o1c2cc(ccc2nc1C)-c1cc2oc(nc2cc1)C

InChI:

InChI=1/C16H12N2O2/c1-9-17-13-5-3-11(7-15(13)19-9)12-4-6-14-16(8-12)20-10(2)18-14/h3-8H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.7694 kcal/mol

Physical Properties
Molecular Weight: 264.284 g/mol	logS: -5.05586	SlogP: 4.25284	Reactive groups: 0

Topological Properties
Globularity: 0.0052826	Sterimol/B1: 2.51217	Sterimol/B2: 2.51542	Sterimol/B3: 4.06732
Sterimol/B4: 4.94462	Sterimol/L: 17.4321

Surface and Volume Properties
Accessible surface: 500.221	Positive charged surface: 272.587	Negative charged surface: 216.562	Volume: 250
Hydrophobic surface: 397.535	Hydrophilic surface: 102.686

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.