MMsINC Database Search


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MMsINC code: MMs02695248

Type: Neutral
Formula: C₁₉H₁₆O₅

SMILES:

o1c2c(cc(OC(=O)c3ccc(OC)cc3)cc2)c(C(=O)C)c1C

InChI:

InChI=1/C19H16O5/c1-11(20)18-12(2)23-17-9-8-15(10-16(17)18)24-19(21)13-4-6-14(22-3)7-5-13/h4-10H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.5156 kcal/mol

Physical Properties
Molecular Weight: 324.332 g/mol	logS: -5.62031	SlogP: 4.17162	Reactive groups: 0

Topological Properties
Globularity: 0.0520868	Sterimol/B1: 3.59636	Sterimol/B2: 3.80576	Sterimol/B3: 4.95671
Sterimol/B4: 5.10589	Sterimol/L: 18.643

Surface and Volume Properties
Accessible surface: 584.892	Positive charged surface: 343.395	Negative charged surface: 236.811	Volume: 304.375
Hydrophobic surface: 496.509	Hydrophilic surface: 88.383

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.