MMsINC Database Search


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MMsINC code: MMs01415990

Type: Neutral
Formula: C₂₃H₂₆O₅

SMILES:

O(C)c1cc(OC)ccc1C(OCC(=O)c1ccc(cc1)C1CCCCC1)=O

InChI:

InChI=1/C23H26O5/c1-26-19-12-13-20(22(14-19)27-2)23(25)28-15-21(24)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h8-14,16H,3-7,15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.82 kcal/mol

Physical Properties
Molecular Weight: 382.456 g/mol	logS: -6.9146	SlogP: 4.7912	Reactive groups: 0

Topological Properties
Globularity: 0.0184729	Sterimol/B1: 2.56095	Sterimol/B2: 3.62476	Sterimol/B3: 3.62519
Sterimol/B4: 8.14005	Sterimol/L: 22.2229

Surface and Volume Properties
Accessible surface: 695.608	Positive charged surface: 507.238	Negative charged surface: 188.37	Volume: 376.125
Hydrophobic surface: 611.949	Hydrophilic surface: 83.659

Pharmacophoric Properties
Hydrogen bond donors: 0	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.