MMsINC Database Search


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MMsINC code: MMs02315756

Type: Neutral
Formula: C₁₆H₂₄O₂

SMILES:

O1CC(COC1(CC)c1ccccc1)(CCC)C

InChI:

InChI=1/C16H24O2/c1-4-11-15(3)12-17-16(5-2,18-13-15)14-9-7-6-8-10-14/h6-10H,4-5,11-13H2,1-3H3/t15-,16-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.0361 kcal/mol

Physical Properties
Molecular Weight: 248.366 g/mol	logS: -4.01325	SlogP: 4.4141	Reactive groups: 0

Topological Properties
Globularity: 0.128132	Sterimol/B1: 3.55819	Sterimol/B2: 3.91759	Sterimol/B3: 4.50053
Sterimol/B4: 4.604	Sterimol/L: 15.0886

Surface and Volume Properties
Accessible surface: 486.58	Positive charged surface: 340.263	Negative charged surface: 146.317	Volume: 270
Hydrophobic surface: 423.872	Hydrophilic surface: 62.708

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.