MMsINC Database Search


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MMsINC code: MMs00020839

Type: Neutral
Formula: C₁₀H₁₁NO₂

SMILES:

O(C)c1cc2c([nH]cc2)cc1OC

InChI:

InChI=1/C10H11NO2/c1-12-9-5-7-3-4-11-8(7)6-10(9)13-2/h3-6,11H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.5365 kcal/mol

Physical Properties
Molecular Weight: 177.203 g/mol	logS: -1.77554	SlogP: 2.1851	Reactive groups: 0

Topological Properties
Globularity: 0.0259044	Sterimol/B1: 1.969	Sterimol/B2: 2.37309	Sterimol/B3: 2.37932
Sterimol/B4: 7.5718	Sterimol/L: 10.7677

Surface and Volume Properties
Accessible surface: 381.507	Positive charged surface: 275.371	Negative charged surface: 99.8865	Volume: 173.875
Hydrophobic surface: 311.111	Hydrophilic surface: 70.396

Pharmacophoric Properties
Hydrogen bond donors: 1	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.