MMsINC Database Search


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MMsINC code: MMs02109922

Type: Neutral
Formula: C₁₃H₁₂O₂

SMILES:

O(c1ccccc1CO)c1ccccc1

InChI:

InChI=1/C13H12O2/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-9,14H,10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.7113 kcal/mol

Physical Properties
Molecular Weight: 200.237 g/mol	logS: -2.93861	SlogP: 3.2376	Reactive groups: 0

Topological Properties
Globularity: 0.100017	Sterimol/B1: 3.37022	Sterimol/B2: 3.43531	Sterimol/B3: 3.81817
Sterimol/B4: 4.8649	Sterimol/L: 12.4908

Surface and Volume Properties
Accessible surface: 416.631	Positive charged surface: 257.246	Negative charged surface: 159.385	Volume: 201.625
Hydrophobic surface: 360.463	Hydrophilic surface: 56.168

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.