MMsINC Database Search


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MMsINC code: MMs00015241

Type: Neutral
Formula: C₁₅H₁₀O₂

SMILES:

O=C1c2c(ccc(c2)C)C(=O)c2c1cccc2

InChI:

InChI=1/C15H10O2/c1-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.6989 kcal/mol

Physical Properties
Molecular Weight: 222.243 g/mol	logS: -4.35892	SlogP: 2.77042	Reactive groups: 0

Topological Properties
Globularity: 0.00571495	Sterimol/B1: 2.09751	Sterimol/B2: 2.512	Sterimol/B3: 3.51882
Sterimol/B4: 5.25651	Sterimol/L: 13.5044

Surface and Volume Properties
Accessible surface: 421.924	Positive charged surface: 222.354	Negative charged surface: 199.571	Volume: 211.375
Hydrophobic surface: 349.177	Hydrophilic surface: 72.747

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.