MMsINC Database Search


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MMsINC code: MMs00849852

Type: Neutral
Formula: C₁₉H₁₄O₅

SMILES:

O1c2c(ccc(OC(=O)C)c2C(=O)c2ccccc2)C(=CC1=O)C

InChI:

InChI=1/C19H14O5/c1-11-10-16(21)24-19-14(11)8-9-15(23-12(2)20)17(19)18(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)=102.765 kcal/mol

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

Topological Properties
Globularity: 0.139884	Sterimol/B1: 3.55739	Sterimol/B2: 4.43348	Sterimol/B3: 4.94648
Sterimol/B4: 6.49907	Sterimol/L: 13.7986

Surface and Volume Properties
Accessible surface: 552.161	Positive charged surface: 284.882	Negative charged surface: 267.279	Volume: 296.375
Hydrophobic surface: 438.859	Hydrophilic surface: 113.302

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.