MMsINC Database Search


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MMsINC code: MMs02368115

Type: Neutral
Formula: C₂₀H₂₄O₄

SMILES:

O(C)c1cc(ccc1O)C1(CCCCC1)c1cc(OC)c(O)cc1

InChI:

InChI=1/C20H24O4/c1-23-18-12-14(6-8-16(18)21)20(10-4-3-5-11-20)15-7-9-17(22)19(13-15)24-2/h6-9,12-13,21-22H,3-5,10-11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.536 kcal/mol

Physical Properties
Molecular Weight: 328.408 g/mol	logS: -5.35218	SlogP: 4.3652	Reactive groups: 0

Topological Properties
Globularity: 0.35483	Sterimol/B1: 2.43444	Sterimol/B2: 2.94517	Sterimol/B3: 6.55665
Sterimol/B4: 8.34524	Sterimol/L: 12.6208

Surface and Volume Properties
Accessible surface: 549.837	Positive charged surface: 414.185	Negative charged surface: 135.653	Volume: 322
Hydrophobic surface: 432.922	Hydrophilic surface: 116.915

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.