MMsINC Database Search


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MMsINC code: MMs02813987

Type: Neutral
Formula: C₁₅H₂₄O₂

SMILES:

O(CCCCCC)c1cc(C)c(O)c(C)c1C

InChI:

InChI=1/C15H24O2/c1-5-6-7-8-9-17-14-10-11(2)15(16)13(4)12(14)3/h10,16H,5-9H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.2636 kcal/mol

Physical Properties
Molecular Weight: 236.355 g/mol	logS: -3.62936	SlogP: 4.27656	Reactive groups: 0

Topological Properties
Globularity: 0.0206574	Sterimol/B1: 2.43528	Sterimol/B2: 2.54069	Sterimol/B3: 4.44608
Sterimol/B4: 5.22464	Sterimol/L: 16.8342

Surface and Volume Properties
Accessible surface: 532.303	Positive charged surface: 395.474	Negative charged surface: 136.829	Volume: 263.875
Hydrophobic surface: 471.493	Hydrophilic surface: 60.81

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.