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MMsINC code: MMs03545873

Type: Neutral
Formula: C₁₅H₁₂O₂

SMILES:

OC(=O)c1cc2CCc3c(-c2cc1)cccc3

InChI:

InChI=1/C15H12O2/c16-15(17)12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.9444 kcal/mol

Physical Properties
Molecular Weight: 224.259 g/mol	logS: -4.62646	SlogP: 3.15034	Reactive groups: 0

Topological Properties
Globularity: 0.0212931	Sterimol/B1: 2.92936	Sterimol/B2: 2.97623	Sterimol/B3: 3.58253
Sterimol/B4: 5.14166	Sterimol/L: 14.0679

Surface and Volume Properties
Accessible surface: 428.384	Positive charged surface: 237.978	Negative charged surface: 181.529	Volume: 220.25
Hydrophobic surface: 329.843	Hydrophilic surface: 98.541

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs03545874
PUBCHEM-ZINC06116891