MMsINC Database Search


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MMsINC code: MMs02327764

Type: Neutral
Formula: C₁₅H₁₆O₂

SMILES:

O(CCOCc1ccccc1)c1ccccc1

InChI:

InChI=1/C15H16O2/c1-3-7-14(8-4-1)13-16-11-12-17-15-9-5-2-6-10-15/h1-10H,11-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.3198 kcal/mol

Physical Properties
Molecular Weight: 228.291 g/mol	logS: -3.3458	SlogP: 3.5486	Reactive groups: 0

Topological Properties
Globularity: 0.0831045	Sterimol/B1: 2.73339	Sterimol/B2: 3.13183	Sterimol/B3: 4.11939
Sterimol/B4: 6.06618	Sterimol/L: 15.0191

Surface and Volume Properties
Accessible surface: 505.764	Positive charged surface: 313.334	Negative charged surface: 192.43	Volume: 240.25
Hydrophobic surface: 491.298	Hydrophilic surface: 14.466

Pharmacophoric Properties
Hydrogen bond donors: 0	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.