MMsINC Database Search


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MMsINC code: MMs00587521

Type: Neutral
Formula: C₁₉H₁₄O₃

SMILES:

O1c2c(cc3c(occ3C)c2C)C(=CC1=O)c1ccccc1

InChI:

InChI=1/C19H14O3/c1-11-10-21-18-12(2)19-16(8-14(11)18)15(9-17(20)22-19)13-6-4-3-5-7-13/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.2191 kcal/mol

Physical Properties
Molecular Weight: 290.318 g/mol	logS: -6.31476	SlogP: 4.21763	Reactive groups: 0

Topological Properties
Globularity: 0.071856	Sterimol/B1: 2.21928	Sterimol/B2: 3.14398	Sterimol/B3: 3.63575
Sterimol/B4: 10.2189	Sterimol/L: 13.0317

Surface and Volume Properties
Accessible surface: 519.344	Positive charged surface: 284.318	Negative charged surface: 229.221	Volume: 280
Hydrophobic surface: 452.413	Hydrophilic surface: 66.931

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.