MMsINC Database Search


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MMsINC code: MMs02821707

Type: Neutral
Formula: C₁₃H₁₂O₂

SMILES:

Oc1cc(O)ccc1Cc1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.2955 kcal/mol

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

Topological Properties
Globularity: 0.176239	Sterimol/B1: 2.46627	Sterimol/B2: 3.61321	Sterimol/B3: 4.28772
Sterimol/B4: 4.89187	Sterimol/L: 12.2232

Surface and Volume Properties
Accessible surface: 410.341	Positive charged surface: 244.735	Negative charged surface: 165.605	Volume: 201.375
Hydrophobic surface: 323.783	Hydrophilic surface: 86.558

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.