MMsINC Database Search


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MMsINC code: MMs01237645

Type: Neutral
Formula: C₂₀H₁₄O

SMILES:

O=C/1c2c(C\C\1=C/c1c3c(ccc1)cccc3)cccc2

InChI:

InChI=1/C20H14O/c21-20-17(13-16-7-2-4-11-19(16)20)12-15-9-5-8-14-6-1-3-10-18(14)15/h1-12H,13H2/b17-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.6192 kcal/mol

Physical Properties
Molecular Weight: 270.331 g/mol	logS: -6.03485	SlogP: 4.66217	Reactive groups: 1

Topological Properties
Globularity: 0.0487434	Sterimol/B1: 2.13423	Sterimol/B2: 3.48898	Sterimol/B3: 3.9944
Sterimol/B4: 5.83204	Sterimol/L: 15.7206

Surface and Volume Properties
Accessible surface: 506.013	Positive charged surface: 261.7	Negative charged surface: 233.391	Volume: 273.75
Hydrophobic surface: 463.307	Hydrophilic surface: 42.706

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

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Ions/Tautomers related molecules: no related molecules available.