MMsINC Database Search


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MMsINC code: MMs02806166

Type: Neutral
Formula: C₁₆H₁₈O₂

SMILES:

O(Cc1ccc(cc1)-c1ccc(cc1)COC)C

InChI:

InChI=1/C16H18O2/c1-17-11-13-3-7-15(8-4-13)16-9-5-14(6-10-16)12-18-2/h3-10H,11-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.307 kcal/mol

Physical Properties
Molecular Weight: 242.318 g/mol	logS: -4.04366	SlogP: 4.1792	Reactive groups: 0

Topological Properties
Globularity: 0.0279158	Sterimol/B1: 2.53869	Sterimol/B2: 3.56038	Sterimol/B3: 3.62473
Sterimol/B4: 3.63017	Sterimol/L: 17.7751

Surface and Volume Properties
Accessible surface: 512.539	Positive charged surface: 361.357	Negative charged surface: 140.843	Volume: 259
Hydrophobic surface: 482.073	Hydrophilic surface: 30.466

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.