MMsINC Database Search


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MMsINC code: MMs01426965

Type: Neutral
Formula: C₁₉H₂₄N₂O₄

SMILES:

O(Cc1ccccc1)c1ccc(NC(=O)CNCC(OC)OC)cc1

InChI:

InChI=1/C19H24N2O4/c1-23-19(24-2)13-20-12-18(22)21-16-8-10-17(11-9-16)25-14-15-6-4-3-5-7-15/h3-11,19-20H,12-14H2,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.726 kcal/mol

Physical Properties
Molecular Weight: 344.411 g/mol	logS: -3.3382	SlogP: 2.679	Reactive groups: 0

Topological Properties
Globularity: 0.0329	Sterimol/B1: 2.37609	Sterimol/B2: 2.44207	Sterimol/B3: 5.54039
Sterimol/B4: 6.13458	Sterimol/L: 21.4655

Surface and Volume Properties
Accessible surface: 667.67	Positive charged surface: 482.347	Negative charged surface: 185.323	Volume: 343.125
Hydrophobic surface: 584.578	Hydrophilic surface: 83.092

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.