MMsINC Database Search


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MMsINC code: MMs00994617

Type: Neutral
Formula: C₁₉H₁₅NO₆

SMILES:

O1c2cc(OC(=O)C)ccc2C=C(NC(=O)c2ccccc2OC)C1=O

InChI:

InChI=1/C19H15NO6/c1-11(21)25-13-8-7-12-9-15(19(23)26-17(12)10-13)20-18(22)14-5-3-4-6-16(14)24-2/h3-10H,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.897 kcal/mol

Physical Properties
Molecular Weight: 353.33 g/mol	logS: -5.18092	SlogP: 2.3104	Reactive groups: 0

Topological Properties
Globularity: 0.0278559	Sterimol/B1: 3.32167	Sterimol/B2: 3.92159	Sterimol/B3: 4.50356
Sterimol/B4: 5.2488	Sterimol/L: 19.3208

Surface and Volume Properties
Accessible surface: 606.934	Positive charged surface: 354.826	Negative charged surface: 252.107	Volume: 318.5
Hydrophobic surface: 472.983	Hydrophilic surface: 133.951

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.