MMsINC Database Search


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MMsINC code: MMs02900897

Type: Neutral
Formula: C₂₀H₁₂O

SMILES:

Oc1c2c3c4c(c5c(cc4cc2)cccc5)ccc3cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.2454 kcal/mol

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

Topological Properties
Globularity: 0.0019953	Sterimol/B1: 2.10747	Sterimol/B2: 2.21595	Sterimol/B3: 4.76153
Sterimol/B4: 5.43629	Sterimol/L: 14.1419

Surface and Volume Properties
Accessible surface: 470.504	Positive charged surface: 217.364	Negative charged surface: 208.855	Volume: 261.875
Hydrophobic surface: 425.316	Hydrophilic surface: 45.188

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.