MMsINC Database Search


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MMsINC code: MMs01229895

Type: Neutral
Formula: C₁₁H₁₁NO₂

SMILES:

O(C)c1cc2c(cc1OC)cncc2

InChI:

InChI=1/C11H11NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h3-7H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.7281 kcal/mol

Physical Properties
Molecular Weight: 189.214 g/mol	logS: -2.10538	SlogP: 2.252	Reactive groups: 0

Topological Properties
Globularity: 0.0236683	Sterimol/B1: 2.15241	Sterimol/B2: 2.37382	Sterimol/B3: 2.37981
Sterimol/B4: 7.84255	Sterimol/L: 11.7112

Surface and Volume Properties
Accessible surface: 391.016	Positive charged surface: 308.378	Negative charged surface: 71.5669	Volume: 186.875
Hydrophobic surface: 359.723	Hydrophilic surface: 31.293

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.