MMsINC Database Search


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MMsINC code: MMs01511226

Type: Neutral
Formula: C₁₉H₁₉NO₆

SMILES:

O(C)c1cc(ccc1)CC(=O)Nc1cc(cc(c1)C(OC)=O)C(OC)=O

InChI:

InChI=1/C19H19NO6/c1-24-16-6-4-5-12(7-16)8-17(21)20-15-10-13(18(22)25-2)9-14(11-15)19(23)26-3/h4-7,9-11H,8H2,1-3H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.3181 kcal/mol

Physical Properties
Molecular Weight: 357.362 g/mol	logS: -4.23018	SlogP: 2.44957	Reactive groups: 0

Topological Properties
Globularity: 0.075351	Sterimol/B1: 2.43284	Sterimol/B2: 4.80109	Sterimol/B3: 6.35312
Sterimol/B4: 6.61947	Sterimol/L: 18.6022

Surface and Volume Properties
Accessible surface: 651.174	Positive charged surface: 473.809	Negative charged surface: 177.365	Volume: 334.5
Hydrophobic surface: 520.449	Hydrophilic surface: 130.725

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.