MMsINC Database Search


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MMsINC code: MMs02360971

Type: Neutral
Formula: C₁₅H₁₂O₂

SMILES:

O(C)c1cc2c(cc1)C(=O)c1c(C2)cccc1

InChI:

InChI=1/C15H12O2/c1-17-12-6-7-14-11(9-12)8-10-4-2-3-5-13(10)15(14)16/h2-7,9H,8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.5823 kcal/mol

Physical Properties
Molecular Weight: 224.259 g/mol	logS: -3.97895	SlogP: 2.83037	Reactive groups: 0

Topological Properties
Globularity: 0.0197354	Sterimol/B1: 2.37061	Sterimol/B2: 3.29325	Sterimol/B3: 3.65786
Sterimol/B4: 4.73488	Sterimol/L: 14.4271

Surface and Volume Properties
Accessible surface: 429.42	Positive charged surface: 270.938	Negative charged surface: 158.482	Volume: 219.125
Hydrophobic surface: 382.811	Hydrophilic surface: 46.609

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.