MMsINC Database Search


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MMsINC code: MMs02393434

Type: Neutral
Formula: C₁₀H₂₀O

SMILES:

OCCC1CCC(CCC1)C

InChI:

InChI=1/C10H20O/c1-9-3-2-4-10(6-5-9)7-8-11/h9-11H,2-8H2,1H3/t9-,10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.9314 kcal/mol

Physical Properties
Molecular Weight: 156.269 g/mol	logS: -3.42148	SlogP: 2.5852	Reactive groups: 0

Topological Properties
Globularity: 0.114823	Sterimol/B1: 2.97357	Sterimol/B2: 3.28064	Sterimol/B3: 3.84815
Sterimol/B4: 4.04416	Sterimol/L: 12.1887

Surface and Volume Properties
Accessible surface: 372.383	Positive charged surface: 297.749	Negative charged surface: 74.6347	Volume: 181.75
Hydrophobic surface: 298.582	Hydrophilic surface: 73.801

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.