MMsINC Database Search


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MMsINC code: MMs01465520

Type: Neutral
Formula: C₁₉H₂₀N₂O₅

SMILES:

O(C(=O)c1[nH]c(C)c(C(=O)C)c1C)CC(=O)Nc1ccccc1C(=O)C

InChI:

InChI=1/C19H20N2O5/c1-10-17(13(4)23)11(2)20-18(10)19(25)26-9-16(24)21-15-8-6-5-7-14(15)12(3)22/h5-8,20H,9H2,1-4H3,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.2706 kcal/mol

Physical Properties
Molecular Weight: 356.378 g/mol	logS: -3.45758	SlogP: 2.83224	Reactive groups: 0

Topological Properties
Globularity: 0.0198394	Sterimol/B1: 2.0409	Sterimol/B2: 2.98678	Sterimol/B3: 3.41184
Sterimol/B4: 7.56124	Sterimol/L: 19.0125

Surface and Volume Properties
Accessible surface: 639.983	Positive charged surface: 378.495	Negative charged surface: 261.488	Volume: 333.375
Hydrophobic surface: 473.59	Hydrophilic surface: 166.393

Pharmacophoric Properties
Hydrogen bond donors: 2	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.