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MMsINC code: MMs02213631

Type: Neutral
Formula: C₁₅H₁₀O₂

SMILES:

OC(=O)c1cc2c(cc1)cc1c(c2)cccc1

InChI:

InChI=1/C15H10O2/c16-15(17)13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)9-13/h1-9H,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.9931 kcal/mol

Physical Properties
Molecular Weight: 222.243 g/mol	logS: -5.11004	SlogP: 3.6912	Reactive groups: 0

Topological Properties
Globularity: 7.23785e-08	Sterimol/B1: 2.0971	Sterimol/B2: 2.09827	Sterimol/B3: 3.91058
Sterimol/B4: 4.53925	Sterimol/L: 14.4053

Surface and Volume Properties
Accessible surface: 432.411	Positive charged surface: 207.777	Negative charged surface: 202.491	Volume: 213.875
Hydrophobic surface: 337.359	Hydrophilic surface: 95.052

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

MMs02213632
NCID-ZINC00164010