MMsINC Database Search


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MMsINC code: MMs02196833

Type: Neutral
Formula: C₁₉H₁₄O₃

SMILES:

O(C(=O)c1ccccc1)c1c2c(ccc1C(=O)C)cccc2

InChI:

InChI=1/C19H14O3/c1-13(20)16-12-11-14-7-5-6-10-17(14)18(16)22-19(21)15-8-3-2-4-9-15/h2-12H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.7265 kcal/mol

Physical Properties
Molecular Weight: 290.318 g/mol	logS: -5.68909	SlogP: 4.2616	Reactive groups: 0

Topological Properties
Globularity: 0.0804336	Sterimol/B1: 2.23179	Sterimol/B2: 3.60672	Sterimol/B3: 3.94555
Sterimol/B4: 9.81518	Sterimol/L: 14.4512

Surface and Volume Properties
Accessible surface: 522.989	Positive charged surface: 269.611	Negative charged surface: 243.973	Volume: 282
Hydrophobic surface: 477.549	Hydrophilic surface: 45.44

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.