MMsINC Database Search


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MMsINC code: MMs02322294

Type: Neutral
Formula: C₁₈H₁₄O₂

SMILES:

O(C)c1ccccc1C(=O)c1cc2c(cc1)cccc2

InChI:

InChI=1/C18H14O2/c1-20-17-9-5-4-8-16(17)18(19)15-11-10-13-6-2-3-7-14(13)12-15/h2-12H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.2051 kcal/mol

Physical Properties
Molecular Weight: 262.308 g/mol	logS: -5.38595	SlogP: 4.0794	Reactive groups: 0

Topological Properties
Globularity: 0.204886	Sterimol/B1: 2.43723	Sterimol/B2: 3.08669	Sterimol/B3: 6.08691
Sterimol/B4: 6.93998	Sterimol/L: 13.5719

Surface and Volume Properties
Accessible surface: 496.153	Positive charged surface: 283.116	Negative charged surface: 202.793	Volume: 263.625
Hydrophobic surface: 460.397	Hydrophilic surface: 35.756

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.