MMsINC Database Search


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MMsINC code: MMs03522328

Type: Neutral
Formula: C₂₀H₁₄O₂

SMILES:

OC(=O)c1c2c(ccc3c2cccc3)c(c2c1cccc2)C

InChI:

InChI=1/C20H14O2/c1-12-14-7-4-5-9-17(14)19(20(21)22)18-15(12)11-10-13-6-2-3-8-16(13)18/h2-11H,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=143.657 kcal/mol

Physical Properties
Molecular Weight: 286.33 g/mol	logS: -7.46184	SlogP: 5.15282	Reactive groups: 0

Topological Properties
Globularity: 0.0156105	Sterimol/B1: 2.19605	Sterimol/B2: 2.7536	Sterimol/B3: 2.98973
Sterimol/B4: 8.12222	Sterimol/L: 14.3223

Surface and Volume Properties
Accessible surface: 478.109	Positive charged surface: 226.027	Negative charged surface: 219.866	Volume: 276.875
Hydrophobic surface: 406.775	Hydrophilic surface: 71.334

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: 1

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Ions/Tautomers related molecules

MMs03522329
PUBCHEM-ZINC06069431