MMsINC Database Search


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MMsINC code: MMs02252696

Type: Neutral
Formula: C₁₀H₁₄O₂

SMILES:

O(CCC)c1ccc(cc1)CO

InChI:

InChI=1/C10H14O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6,11H,2,7-8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.1277 kcal/mol

Physical Properties
Molecular Weight: 166.22 g/mol	logS: -1.73526	SlogP: 2.2341	Reactive groups: 0

Topological Properties
Globularity: 0.0292474	Sterimol/B1: 2.46327	Sterimol/B2: 2.81548	Sterimol/B3: 2.93302
Sterimol/B4: 4.78737	Sterimol/L: 14.0661

Surface and Volume Properties
Accessible surface: 403.012	Positive charged surface: 278.58	Negative charged surface: 124.433	Volume: 179
Hydrophobic surface: 308.68	Hydrophilic surface: 94.332

Pharmacophoric Properties
Hydrogen bond donors: 1	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.