MMsINC Database Search


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MMsINC code: MMs02849038

Type: Neutral
Formula: C₁₈H₁₆O₂

SMILES:

O(Cc1c2c(cccc2)c(c2c1cccc2)C)C(=O)C

InChI:

InChI=1/C18H16O2/c1-12-14-7-3-5-9-16(14)18(11-20-13(2)19)17-10-6-4-8-15(12)17/h3-10H,11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.6362 kcal/mol

Physical Properties
Molecular Weight: 264.324 g/mol	logS: -6.00365	SlogP: 4.63092	Reactive groups: 0

Topological Properties
Globularity: 0.0797844	Sterimol/B1: 3.0211	Sterimol/B2: 3.59219	Sterimol/B3: 6.02295
Sterimol/B4: 6.03131	Sterimol/L: 13.2649

Surface and Volume Properties
Accessible surface: 496.649	Positive charged surface: 262.785	Negative charged surface: 212.868	Volume: 265.125
Hydrophobic surface: 449.439	Hydrophilic surface: 47.21

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.