MMsINC Database Search


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MMsINC code: MMs02360280

Type: Neutral
Formula: C₉H₈O₂

SMILES:

o1c2c(cc(OC)cc2)cc1

InChI:

InChI=1/C9H8O2/c1-10-8-2-3-9-7(6-8)4-5-11-9/h2-6H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.0309 kcal/mol

Physical Properties
Molecular Weight: 148.161 g/mol	logS: -2.88059	SlogP: 2.4414	Reactive groups: 0

Topological Properties
Globularity: 0.0125631	Sterimol/B1: 2.37405	Sterimol/B2: 2.37507	Sterimol/B3: 3.42517
Sterimol/B4: 4.49225	Sterimol/L: 11.8294

Surface and Volume Properties
Accessible surface: 333.375	Positive charged surface: 199.841	Negative charged surface: 127.305	Volume: 147.5
Hydrophobic surface: 309.794	Hydrophilic surface: 23.581

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.