MMsINC Database Search


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MMsINC code: MMs01028932

Type: Neutral
Formula: C₁₉H₂₄N₂O₄

SMILES:

O(CC)c1ccccc1NC(=O)C(=O)c1cc(n(CCOC)c1C)C

InChI:

InChI=1/C19H24N2O4/c1-5-25-17-9-7-6-8-16(17)20-19(23)18(22)15-12-13(2)21(14(15)3)10-11-24-4/h6-9,12H,5,10-11H2,1-4H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.752 kcal/mol

Physical Properties
Molecular Weight: 344.411 g/mol	logS: -3.17046	SlogP: 3.23784	Reactive groups: 0

Topological Properties
Globularity: 0.0361356	Sterimol/B1: 2.0039	Sterimol/B2: 3.00437	Sterimol/B3: 4.09585
Sterimol/B4: 8.5047	Sterimol/L: 19.0584

Surface and Volume Properties
Accessible surface: 652.183	Positive charged surface: 453.889	Negative charged surface: 198.294	Volume: 340.875
Hydrophobic surface: 541.087	Hydrophilic surface: 111.096

Pharmacophoric Properties
Hydrogen bond donors: 1	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.