MMsINC Database Search


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MMsINC code: MMs02224261

Type: Neutral
Formula: C₁₄H₁₀O₂

SMILES:

Oc1cc2c(Cc3c(cccc3)C2=O)cc1

InChI:

InChI=1/C14H10O2/c15-11-6-5-10-7-9-3-1-2-4-12(9)14(16)13(10)8-11/h1-6,8,15H,7H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.4498 kcal/mol

Physical Properties
Molecular Weight: 210.232 g/mol	logS: -3.56662	SlogP: 2.52737	Reactive groups: 0

Topological Properties
Globularity: 0.0250839	Sterimol/B1: 2.097	Sterimol/B2: 3.23487	Sterimol/B3: 3.61731
Sterimol/B4: 4.79331	Sterimol/L: 12.7331

Surface and Volume Properties
Accessible surface: 405.686	Positive charged surface: 226.218	Negative charged surface: 179.468	Volume: 201.125
Hydrophobic surface: 316.249	Hydrophilic surface: 89.437

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.