MMsINC Database Search


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MMsINC code: MMs00046646

Type: Neutral
Formula: C₁₃H₁₂O₂

SMILES:

Oc1ccccc1Cc1ccc(O)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.8629 kcal/mol

Physical Properties
Molecular Weight: 200.237 g/mol	logS: -2.46391	SlogP: 2.68857	Reactive groups: 0

Topological Properties
Globularity: 0.135345	Sterimol/B1: 2.47783	Sterimol/B2: 2.64888	Sterimol/B3: 4.33443
Sterimol/B4: 5.28664	Sterimol/L: 12.5711

Surface and Volume Properties
Accessible surface: 410.109	Positive charged surface: 238.71	Negative charged surface: 171.399	Volume: 200.875
Hydrophobic surface: 327.013	Hydrophilic surface: 83.096

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.