MMsINC Database Search


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MMsINC code: MMs02877715

Type: Neutral
Formula: C₁₀H₉NO₂

SMILES:

o1cncc1-c1ccc(OC)cc1

InChI:

InChI=1/C10H9NO2/c1-12-9-4-2-8(3-5-9)10-6-11-7-13-10/h2-7H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.8538 kcal/mol

Physical Properties
Molecular Weight: 175.187 g/mol	logS: -2.64497	SlogP: 2.3502	Reactive groups: 0

Topological Properties
Globularity: 0.0080726	Sterimol/B1: 2.37445	Sterimol/B2: 2.37468	Sterimol/B3: 3.3936
Sterimol/B4: 4.51043	Sterimol/L: 13.5109

Surface and Volume Properties
Accessible surface: 374.827	Positive charged surface: 272.09	Negative charged surface: 102.737	Volume: 170.125
Hydrophobic surface: 295.822	Hydrophilic surface: 79.005

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.