MMsINC Database Search


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MMsINC code: MMs03147550

Type: Neutral
Formula: C₂₀H₁₂O

SMILES:

Oc1c2c3c4c(c1)c1c(cc4ccc3ccc2)cccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.1048 kcal/mol

Physical Properties
Molecular Weight: 268.315 g/mol	logS: -7.98595	SlogP: 5.4428	Reactive groups: 0

Topological Properties
Globularity: 0.00207399	Sterimol/B1: 2.13386	Sterimol/B2: 2.1922	Sterimol/B3: 5.24672
Sterimol/B4: 5.45294	Sterimol/L: 14.274

Surface and Volume Properties
Accessible surface: 467.694	Positive charged surface: 217.393	Negative charged surface: 206.016	Volume: 260.5
Hydrophobic surface: 421.948	Hydrophilic surface: 45.746

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.