MMsINC Database Search


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MMsINC code: MMs02224117

Type: Neutral
Formula: C₁₅H₁₆O₂

SMILES:

O(C)c1ccc(cc1)C(O)c1ccc(cc1)C

InChI:

InChI=1/C15H16O2/c1-11-3-5-12(6-4-11)15(16)13-7-9-14(17-2)10-8-13/h3-10,15-16H,1-2H3/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.7768 kcal/mol

Physical Properties
Molecular Weight: 228.291 g/mol	logS: -3.4481	SlogP: 3.18082	Reactive groups: 0

Topological Properties
Globularity: 0.141677	Sterimol/B1: 2.55429	Sterimol/B2: 2.60369	Sterimol/B3: 5.28622
Sterimol/B4: 5.48683	Sterimol/L: 14.6297

Surface and Volume Properties
Accessible surface: 464.275	Positive charged surface: 288.693	Negative charged surface: 175.581	Volume: 238.625
Hydrophobic surface: 415.969	Hydrophilic surface: 48.306

Pharmacophoric Properties
Hydrogen bond donors: 1	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.