MMsINC Database Search


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MMsINC code: MMs03540669

Type: Neutral
Formula: C₁₆H₁₀O₂

SMILES:

Oc1c2c3c4c(cc2)c(O)ccc4ccc3cc1

InChI:

InChI=1/C16H10O2/c17-13-7-3-9-1-2-10-4-8-14(18)12-6-5-11(13)15(9)16(10)12/h1-8,17-18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.259 kcal/mol

Physical Properties
Molecular Weight: 234.254 g/mol	logS: -5.74612	SlogP: 3.9952	Reactive groups: 0

Topological Properties
Globularity: 0.00693374	Sterimol/B1: 2.19731	Sterimol/B2: 2.24335	Sterimol/B3: 2.42183
Sterimol/B4: 7.3716	Sterimol/L: 12.0412

Surface and Volume Properties
Accessible surface: 417.727	Positive charged surface: 212.521	Negative charged surface: 171.993	Volume: 219.75
Hydrophobic surface: 325.973	Hydrophilic surface: 91.754

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.