MMsINC Database Search


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MMsINC code: MMs02492613

Type: Neutral
Formula: C₁₃H₁₀O₂

SMILES:

OC1c2cc(O)ccc2-c2c1cccc2

InChI:

InChI=1/C13H10O2/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7,13-15H/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.8563 kcal/mol

Physical Properties
Molecular Weight: 198.221 g/mol	logS: -3.34273	SlogP: 2.5498	Reactive groups: 0

Topological Properties
Globularity: 0.0218425	Sterimol/B1: 2.52911	Sterimol/B2: 2.75578	Sterimol/B3: 2.78151
Sterimol/B4: 5.80918	Sterimol/L: 12.5858

Surface and Volume Properties
Accessible surface: 393.256	Positive charged surface: 212.501	Negative charged surface: 169.353	Volume: 191.625
Hydrophobic surface: 297.948	Hydrophilic surface: 95.308

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.