MMsINC Database Search


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MMsINC code: MMs01446017

Type: Neutral
Formula: C₁₄H₁₉NO₅

SMILES:

O(C)c1ccc(cc1NC(=O)COC(=O)COCC)C

InChI:

InChI=1/C14H19NO5/c1-4-19-9-14(17)20-8-13(16)15-11-7-10(2)5-6-12(11)18-3/h5-7H,4,8-9H2,1-3H3,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.7021 kcal/mol

Physical Properties
Molecular Weight: 281.308 g/mol	logS: -2.98929	SlogP: 1.52182	Reactive groups: 1

Topological Properties
Globularity: 0.0174889	Sterimol/B1: 2.88655	Sterimol/B2: 3.13382	Sterimol/B3: 5.26449
Sterimol/B4: 5.62471	Sterimol/L: 18.0896

Surface and Volume Properties
Accessible surface: 569.542	Positive charged surface: 416.712	Negative charged surface: 152.829	Volume: 272.25
Hydrophobic surface: 444.248	Hydrophilic surface: 125.294

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.