MMsINC Database Search


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MMsINC code: MMs01659443

Type: Neutral
Formula: C₁₈H₂₄N₂O₄

SMILES:

O(C(=O)c1ccc(NC(=O)C)cc1)CC(=O)N(C)C1CCCCC1

InChI:

InChI=1/C18H24N2O4/c1-13(21)19-15-10-8-14(9-11-15)18(23)24-12-17(22)20(2)16-6-4-3-5-7-16/h8-11,16H,3-7,12H2,1-2H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.5425 kcal/mol

Physical Properties
Molecular Weight: 332.4 g/mol	logS: -3.51378	SlogP: 2.5929	Reactive groups: 0

Topological Properties
Globularity: 0.0278824	Sterimol/B1: 2.45465	Sterimol/B2: 3.4998	Sterimol/B3: 3.76369
Sterimol/B4: 6.68708	Sterimol/L: 19.9183

Surface and Volume Properties
Accessible surface: 621.798	Positive charged surface: 426.517	Negative charged surface: 195.281	Volume: 327
Hydrophobic surface: 498.658	Hydrophilic surface: 123.14

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.