MMsINC Database Search


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MMsINC code: MMs00092717

Type: Neutral
Formula: C₁₈H₁₄O₂

SMILES:

O=C1c2c(cccc2)C(=O)C1=Cc1cc(cc(c1)C)C

InChI:

InChI=1/C18H14O2/c1-11-7-12(2)9-13(8-11)10-16-17(19)14-5-3-4-6-15(14)18(16)20/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.2472 kcal/mol

Physical Properties
Molecular Weight: 262.308 g/mol	logS: -5.37469	SlogP: 3.76604	Reactive groups: 1

Topological Properties
Globularity: 0.0525262	Sterimol/B1: 2.06025	Sterimol/B2: 2.32411	Sterimol/B3: 3.9286
Sterimol/B4: 7.31646	Sterimol/L: 15.1678

Surface and Volume Properties
Accessible surface: 491.925	Positive charged surface: 278.06	Negative charged surface: 213.865	Volume: 261.75
Hydrophobic surface: 427.683	Hydrophilic surface: 64.242

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.