MMsINC Database Search


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MMsINC code: MMs02341211

Type: Neutral
Formula: C₁₈H₁₄O₂

SMILES:

Oc1c2c(cccc2)c(cc1)C(=O)c1ccccc1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.9868 kcal/mol

Physical Properties
Molecular Weight: 262.308 g/mol	logS: -5.44754	SlogP: 4.08482	Reactive groups: 0

Topological Properties
Globularity: 0.134642	Sterimol/B1: 2.31031	Sterimol/B2: 4.45253	Sterimol/B3: 5.019
Sterimol/B4: 6.0765	Sterimol/L: 14.2455

Surface and Volume Properties
Accessible surface: 480.355	Positive charged surface: 257.409	Negative charged surface: 213.106	Volume: 261.875
Hydrophobic surface: 413.38	Hydrophilic surface: 66.975

Pharmacophoric Properties
Hydrogen bond donors: 1	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.