MMsINC Database Search


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MMsINC code: MMs00745898

Type: Neutral
Formula: C₂₀H₂₄O₅

SMILES:

O(CCOCCOc1ccc(cc1OC)C=O)c1cc(ccc1C)C

InChI:

InChI=1/C20H24O5/c1-15-4-5-16(2)19(12-15)25-11-9-23-8-10-24-18-7-6-17(14-21)13-20(18)22-3/h4-7,12-14H,8-11H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.995 kcal/mol

Physical Properties
Molecular Weight: 344.407 g/mol	logS: -4.1135	SlogP: 3.59894	Reactive groups: 1

Topological Properties
Globularity: 0.143492	Sterimol/B1: 2.66374	Sterimol/B2: 4.55649	Sterimol/B3: 4.85214
Sterimol/B4: 7.38401	Sterimol/L: 17.5259

Surface and Volume Properties
Accessible surface: 681.085	Positive charged surface: 494.819	Negative charged surface: 186.266	Volume: 344.625
Hydrophobic surface: 602.427	Hydrophilic surface: 78.658

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.