MMsINC Database Search


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MMsINC code: MMs01419690

Type: Neutral
Formula: C₁₉H₂₀N₂O₄

SMILES:

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

InChI:

InChI=1/C19H20N2O4/c1-13(22)14-7-9-16(10-8-14)20-18(23)12-25-19(24)15-5-4-6-17(11-15)21(2)3/h4-11H,12H2,1-3H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.613 kcal/mol

Physical Properties
Molecular Weight: 340.379 g/mol	logS: -4.00272	SlogP: 2.7507	Reactive groups: 0

Topological Properties
Globularity: 0.0104794	Sterimol/B1: 2.30637	Sterimol/B2: 3.33547	Sterimol/B3: 4.20497
Sterimol/B4: 4.41504	Sterimol/L: 21.3819

Surface and Volume Properties
Accessible surface: 626.247	Positive charged surface: 411.462	Negative charged surface: 214.785	Volume: 329.625
Hydrophobic surface: 502.225	Hydrophilic surface: 124.022

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.