MMsINC Database Search


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MMsINC code: MMs03547115

Type: Neutral
Formula: C₂₀H₁₂O

SMILES:

Oc1cc-2c(-c3c4c-2cc2c(c4ccc3)cccc2)cc1

InChI:

InChI=1/C20H12O/c21-13-8-9-15-17-7-3-6-16-14-5-2-1-4-12(14)10-19(20(16)17)18(15)11-13/h1-11,21H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.564 kcal/mol

Physical Properties
Molecular Weight: 268.315 g/mol	logS: -7.98595	SlogP: 5.346	Reactive groups: 0

Topological Properties
Globularity: 0.00190573	Sterimol/B1: 2.13536	Sterimol/B2: 2.20291	Sterimol/B3: 2.86809
Sterimol/B4: 7.83865	Sterimol/L: 14.3107

Surface and Volume Properties
Accessible surface: 480.516	Positive charged surface: 223.923	Negative charged surface: 211.601	Volume: 264
Hydrophobic surface: 429.186	Hydrophilic surface: 51.33

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.