MMsINC Database Search


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MMsINC code: MMs02214377

Type: Neutral
Formula: C₁₅H₁₀O₂

SMILES:

OC(=O)c1cc2c3c(ccc2cc1)cccc3

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.3059 kcal/mol

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

Topological Properties
Globularity: 7.47337e-08	Sterimol/B1: 2.097	Sterimol/B2: 2.09919	Sterimol/B3: 3.48858
Sterimol/B4: 6.07592	Sterimol/L: 13.3357

Surface and Volume Properties
Accessible surface: 418.231	Positive charged surface: 197.429	Negative charged surface: 198.659	Volume: 213.875
Hydrophobic surface: 323.564	Hydrophilic surface: 94.667

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

MMs02214378
NCID-ZINC00345518