MMsINC Database Search


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MMsINC code: MMs03689992

Type: Neutral
Formula: C₁₉H₂₂N₂O₄

SMILES:

O(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)N(OC)C

InChI:

InChI=1/C19H22N2O4/c1-21(24-2)18(22)17(13-15-9-5-3-6-10-15)20-19(23)25-14-16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3,(H,20,23)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.6932 kcal/mol

Physical Properties
Molecular Weight: 342.395 g/mol	logS: -3.75834	SlogP: 2.81027	Reactive groups: 1

Topological Properties
Globularity: 0.0832597	Sterimol/B1: 2.11614	Sterimol/B2: 2.9447	Sterimol/B3: 4.22391
Sterimol/B4: 10.623	Sterimol/L: 16.0395

Surface and Volume Properties
Accessible surface: 635.981	Positive charged surface: 404.057	Negative charged surface: 231.923	Volume: 339.25
Hydrophobic surface: 557.424	Hydrophilic surface: 78.557

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.