MMsINC Database Search


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MMsINC code: MMs00019386

Type: Neutral
Formula: C₁₀H₈O₃

SMILES:

O1c2c(cccc2)C(OC)=CC1=O

InChI:

InChI=1/C10H8O3/c1-12-9-6-10(11)13-8-5-3-2-4-7(8)9/h2-6H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.4735 kcal/mol

Physical Properties
Molecular Weight: 176.171 g/mol	logS: -2.85741	SlogP: 1.5929	Reactive groups: 0

Topological Properties
Globularity: 0.0123445	Sterimol/B1: 2.37296	Sterimol/B2: 2.37713	Sterimol/B3: 2.84071
Sterimol/B4: 6.17591	Sterimol/L: 10.9463

Surface and Volume Properties
Accessible surface: 356.166	Positive charged surface: 217.478	Negative charged surface: 138.688	Volume: 162.375
Hydrophobic surface: 284.654	Hydrophilic surface: 71.512

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.