MMsINC Database Search


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MMsINC code: MMs02565487

Type: Neutral
Formula: C₂₄H₂₀O₃

SMILES:

O1c2c(ccc(c2)C)C(=O)C(OCCc2ccccc2)=C1c1ccccc1

InChI:

InChI=1/C24H20O3/c1-17-12-13-20-21(16-17)27-23(19-10-6-3-7-11-19)24(22(20)25)26-15-14-18-8-4-2-5-9-18/h2-13,16H,14-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.516 kcal/mol

Physical Properties
Molecular Weight: 356.421 g/mol	logS: -6.93819	SlogP: 5.19819	Reactive groups: 1

Topological Properties
Globularity: 0.0849501	Sterimol/B1: 2.62131	Sterimol/B2: 4.67555	Sterimol/B3: 4.79288
Sterimol/B4: 7.6334	Sterimol/L: 17.1891

Surface and Volume Properties
Accessible surface: 635.569	Positive charged surface: 367.689	Negative charged surface: 267.881	Volume: 357.5
Hydrophobic surface: 599.585	Hydrophilic surface: 35.984

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.