MMsINC Database Search


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MMsINC code: MMs01483502

Type: Neutral
Formula: C₁₅H₁₉NO₅

SMILES:

O(C(=O)CCCC)CC(=O)Nc1ccccc1C(OC)=O

InChI:

InChI=1/C15H19NO5/c1-3-4-9-14(18)21-10-13(17)16-12-8-6-5-7-11(12)15(19)20-2/h5-8H,3-4,9-10H2,1-2H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.5882 kcal/mol

Physical Properties
Molecular Weight: 293.319 g/mol	logS: -3.61644	SlogP: 2.1451	Reactive groups: 1

Topological Properties
Globularity: 0.0138921	Sterimol/B1: 2.90691	Sterimol/B2: 2.96106	Sterimol/B3: 4.58009
Sterimol/B4: 6.18285	Sterimol/L: 18.4737

Surface and Volume Properties
Accessible surface: 574.863	Positive charged surface: 409.867	Negative charged surface: 164.995	Volume: 280.875
Hydrophobic surface: 446.627	Hydrophilic surface: 128.236

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.