MMsINC Database Search


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MMsINC code: MMs00996954

Type: Neutral
Formula: C₁₉H₂₀N₂O₆

SMILES:

O(C)c1c(OC)cc(NC(=O)C(=O)c2ccccc2NC(=O)C)cc1OC

InChI:

InChI=1/C19H20N2O6/c1-11(22)20-14-8-6-5-7-13(14)17(23)19(24)21-12-9-15(25-2)18(27-4)16(10-12)26-3/h5-10H,1-4H3,(H,20,22)(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=150.469 kcal/mol

Physical Properties
Molecular Weight: 372.377 g/mol	logS: -4.04681	SlogP: 2.4922	Reactive groups: 0

Topological Properties
Globularity: 0.0420416	Sterimol/B1: 2.18165	Sterimol/B2: 2.91778	Sterimol/B3: 4.63454
Sterimol/B4: 8.40651	Sterimol/L: 17.7837

Surface and Volume Properties
Accessible surface: 632.051	Positive charged surface: 463.842	Negative charged surface: 168.209	Volume: 341.75
Hydrophobic surface: 512.216	Hydrophilic surface: 119.835

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 6	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.