MMsINC Database Search


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MMsINC code: MMs01736777

Type: Neutral
Formula: C₁₉H₁₄O₅

SMILES:

O1c2c(cc(C(=O)c3ccccc3)c(OC(=O)C)c2)C(=CC1=O)C

InChI:

InChI=1/C19H14O5/c1-11-8-18(21)24-16-10-17(23-12(2)20)15(9-14(11)16)19(22)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)=101.789 kcal/mol

Physical Properties
Molecular Weight: 322.316 g/mol	logS: -5.52773	SlogP: 3.1652	Reactive groups: 0

Topological Properties
Globularity: 0.1371	Sterimol/B1: 2.42988	Sterimol/B2: 3.03812	Sterimol/B3: 5.33789
Sterimol/B4: 7.87627	Sterimol/L: 14.2073

Surface and Volume Properties
Accessible surface: 549.261	Positive charged surface: 283.243	Negative charged surface: 266.018	Volume: 297.125
Hydrophobic surface: 426.446	Hydrophilic surface: 122.815

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.