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MMsINC code: MMs01386454

Type: Neutral
Formula: C₁₇H₂₄N₂O₆

SMILES:

O(C)c1cc(cc(OC)c1)C(=O)NCC(OCC(=O)NC(C)(C)C)=O

InChI:

InChI=1/C17H24N2O6/c1-17(2,3)19-14(20)10-25-15(21)9-18-16(22)11-6-12(23-4)8-13(7-11)24-5/h6-8H,9-10H2,1-5H3,(H,18,22)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.139 kcal/mol

Physical Properties
Molecular Weight: 352.387 g/mol	logS: -3.19414	SlogP: 0.8915	Reactive groups: 1

Topological Properties
Globularity: 0.0150898	Sterimol/B1: 2.37484	Sterimol/B2: 3.81413	Sterimol/B3: 4.87439
Sterimol/B4: 6.19003	Sterimol/L: 21.4736

Surface and Volume Properties
Accessible surface: 649.649	Positive charged surface: 466.974	Negative charged surface: 182.675	Volume: 335.625
Hydrophobic surface: 451.759	Hydrophilic surface: 197.89

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.