MMsINC Database Search


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MMsINC code: MMs02309646

Type: Neutral
Formula: C₁₆H₁₆O₂

SMILES:

O1CC2(CC2)COC1c1cc2c(cc1)cccc2

InChI:

InChI=1/C16H16O2/c1-2-4-13-9-14(6-5-12(13)3-1)15-17-10-16(7-8-16)11-18-15/h1-6,9,15H,7-8,10-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.7821 kcal/mol

Physical Properties
Molecular Weight: 240.302 g/mol	logS: -4.05444	SlogP: 3.7609	Reactive groups: 0

Topological Properties
Globularity: 0.0458916	Sterimol/B1: 3.35968	Sterimol/B2: 3.77889	Sterimol/B3: 4.15001
Sterimol/B4: 4.26344	Sterimol/L: 15.2177

Surface and Volume Properties
Accessible surface: 480.163	Positive charged surface: 292.928	Negative charged surface: 176.164	Volume: 245.125
Hydrophobic surface: 407.398	Hydrophilic surface: 72.765

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.