MMsINC Database Search


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MMsINC code: MMs02565513

Type: Neutral
Formula: C₂₄H₁₈O₄

SMILES:

O1c2c(ccc(c2)C)C(=O)C(OCC(=O)c2ccccc2)=C1c1ccccc1

InChI:

InChI=1/C24H18O4/c1-16-12-13-19-21(14-16)28-23(18-10-6-3-7-11-18)24(22(19)26)27-15-20(25)17-8-4-2-5-9-17/h2-14H,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.324 kcal/mol

Physical Properties
Molecular Weight: 370.404 g/mol	logS: -7.20807	SlogP: 4.83842	Reactive groups: 1

Topological Properties
Globularity: 0.0825552	Sterimol/B1: 3.45652	Sterimol/B2: 3.82432	Sterimol/B3: 4.59596
Sterimol/B4: 7.60195	Sterimol/L: 18.0095

Surface and Volume Properties
Accessible surface: 641.464	Positive charged surface: 353.893	Negative charged surface: 287.571	Volume: 357.875
Hydrophobic surface: 575.796	Hydrophilic surface: 65.668

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.