MMsINC Database Search


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MMsINC code: MMs00692059

Type: Neutral
Formula: C₂₄H₁₈O₄

SMILES:

O=C1c2c(cccc2)C(=O)C1(CCOC(=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H18O4/c25-21-19-13-7-8-14-20(19)22(26)24(21,18-11-5-2-6-12-18)15-16-28-23(27)17-9-3-1-4-10-17/h1-14H,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.669 kcal/mol

Physical Properties
Molecular Weight: 370.404 g/mol	logS: -6.09987	SlogP: 4.2507	Reactive groups: 0

Topological Properties
Globularity: 0.0545431	Sterimol/B1: 4.11247	Sterimol/B2: 4.11257	Sterimol/B3: 5.65645
Sterimol/B4: 7.30053	Sterimol/L: 17.1343

Surface and Volume Properties
Accessible surface: 641.291	Positive charged surface: 315.02	Negative charged surface: 326.272	Volume: 355.5
Hydrophobic surface: 546.462	Hydrophilic surface: 94.829

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.