MMsINC Database Search


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MMsINC code: MMs02828667

Type: Neutral
Formula: C₁₁H₁₁NO₂

SMILES:

O(C)c1cc(OC)nc2c1cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.9436 kcal/mol

Physical Properties
Molecular Weight: 189.214 g/mol	logS: -2.38544	SlogP: 2.252	Reactive groups: 0

Topological Properties
Globularity: 0.0232437	Sterimol/B1: 2.37359	Sterimol/B2: 2.37712	Sterimol/B3: 2.43231
Sterimol/B4: 8.3623	Sterimol/L: 11.8253

Surface and Volume Properties
Accessible surface: 400.491	Positive charged surface: 290.606	Negative charged surface: 104.349	Volume: 187.5
Hydrophobic surface: 363.117	Hydrophilic surface: 37.374

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.