MMsINC Database Search


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MMsINC code: MMs02422766

Type: Neutral
Formula: C₁₆H₁₆N₂O₂

SMILES:

O(C)c1ccccc1\C=N/N=C/c1ccccc1OC

InChI:

InChI=1/C16H16N2O2/c1-19-15-9-5-3-7-13(15)11-17-18-12-14-8-4-6-10-16(14)20-2/h3-12H,1-2H3/b17-11-,18-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.545 kcal/mol

Physical Properties
Molecular Weight: 268.316 g/mol	logS: -3.59366	SlogP: 3.1568	Reactive groups: 0

Topological Properties
Globularity: 0.0872571	Sterimol/B1: 3.36099	Sterimol/B2: 4.06353	Sterimol/B3: 4.3026
Sterimol/B4: 4.42956	Sterimol/L: 15.1117

Surface and Volume Properties
Accessible surface: 506.588	Positive charged surface: 370.878	Negative charged surface: 135.71	Volume: 268.375
Hydrophobic surface: 446.399	Hydrophilic surface: 60.189

Pharmacophoric Properties
Hydrogen bond donors: 0	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.