MMsINC Database Search


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MMsINC code: MMs02879057

Type: Neutral
Formula: C₁₅H₂₄O

SMILES:

O(CCCC)c1ccc(cc1)C(CC)(C)C

InChI:

InChI=1/C15H24O/c1-5-7-12-16-14-10-8-13(9-11-14)15(3,4)6-2/h8-11H,5-7,12H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.2254 kcal/mol

Physical Properties
Molecular Weight: 220.356 g/mol	logS: -5.01426	SlogP: 4.5531	Reactive groups: 0

Topological Properties
Globularity: 0.0402744	Sterimol/B1: 3.62378	Sterimol/B2: 3.62431	Sterimol/B3: 3.81564
Sterimol/B4: 4.79754	Sterimol/L: 16.1167

Surface and Volume Properties
Accessible surface: 496.061	Positive charged surface: 349.171	Negative charged surface: 146.89	Volume: 253.375
Hydrophobic surface: 414.89	Hydrophilic surface: 81.171

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.