MMsINC Database Search


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MMsINC code: MMs02698019

Type: Neutral
Formula: C₁₉H₁₆O₃

SMILES:

O(Cc1ccc(cc1)C(OC)=O)c1c2c(ccc1)cccc2

InChI:

InChI=1/C19H16O3/c1-21-19(20)16-11-9-14(10-12-16)13-22-18-8-4-6-15-5-2-3-7-17(15)18/h2-12H,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.3052 kcal/mol

Physical Properties
Molecular Weight: 292.334 g/mol	logS: -5.46277	SlogP: 4.4718	Reactive groups: 0

Topological Properties
Globularity: 0.043463	Sterimol/B1: 2.93182	Sterimol/B2: 4.28467	Sterimol/B3: 4.46372
Sterimol/B4: 5.68861	Sterimol/L: 17.5618

Surface and Volume Properties
Accessible surface: 559.456	Positive charged surface: 338.051	Negative charged surface: 211.036	Volume: 290.75
Hydrophobic surface: 512.659	Hydrophilic surface: 46.797

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.