MMsINC Database Search


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MMsINC code: MMs01544089

Type: Neutral
Formula: C₁₉H₂₀N₂O₅

SMILES:

O(C(=O)c1cc(N(C)C)ccc1)CC(=O)Nc1ccc(cc1)C(OC)=O

InChI:

InChI=1/C19H20N2O5/c1-21(2)16-6-4-5-14(11-16)19(24)26-12-17(22)20-15-9-7-13(8-10-15)18(23)25-3/h4-11H,12H2,1-3H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.675 kcal/mol

Physical Properties
Molecular Weight: 356.378 g/mol	logS: -4.07218	SlogP: 2.3347	Reactive groups: 0

Topological Properties
Globularity: 0.00913521	Sterimol/B1: 2.61434	Sterimol/B2: 3.00955	Sterimol/B3: 3.57014
Sterimol/B4: 5.71478	Sterimol/L: 21.8998

Surface and Volume Properties
Accessible surface: 652.895	Positive charged surface: 459.237	Negative charged surface: 193.658	Volume: 338.875
Hydrophobic surface: 529.082	Hydrophilic surface: 123.813

Pharmacophoric Properties
Hydrogen bond donors: 1	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.