MMsINC Database Search


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MMsINC code: MMs03547113

Type: Neutral
Formula: C₂₀H₁₂O

SMILES:

Oc1c-2c(-c3c4c-2cc2c(c4ccc3)cccc2)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.109 kcal/mol

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

Topological Properties
Globularity: 0.00210112	Sterimol/B1: 2.14519	Sterimol/B2: 2.17051	Sterimol/B3: 3.12701
Sterimol/B4: 7.67808	Sterimol/L: 14.3246

Surface and Volume Properties
Accessible surface: 476.498	Positive charged surface: 223.806	Negative charged surface: 207.699	Volume: 263.125
Hydrophobic surface: 435.198	Hydrophilic surface: 41.3

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.