MMsINC Database Search


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MMsINC code: MMs02255003

Type: Neutral
Formula: C₁₈H₁₄O₂

SMILES:

O(C)c1ccc(cc1)C(=O)c1c2c(ccc1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.4167 kcal/mol

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

Topological Properties
Globularity: 0.183189	Sterimol/B1: 2.33939	Sterimol/B2: 3.63403	Sterimol/B3: 5.35095
Sterimol/B4: 5.9375	Sterimol/L: 13.5341

Surface and Volume Properties
Accessible surface: 494.154	Positive charged surface: 282.003	Negative charged surface: 204.026	Volume: 263
Hydrophobic surface: 453.508	Hydrophilic surface: 40.646

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.