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MMsINC code: MMs01887887

Type: Neutral
Formula: C₁₄H₁₉NO₅

SMILES:

OC(=O)c1ccc(cc1)CNC(=O)C(O)C(CO)(C)C

InChI:

InChI=1/C14H19NO5/c1-14(2,8-16)11(17)12(18)15-7-9-3-5-10(6-4-9)13(19)20/h3-6,11,16-17H,7-8H2,1-2H3,(H,15,18)(H,19,20)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.417 kcal/mol

Physical Properties
Molecular Weight: 281.308 g/mol	logS: -1.70064	SlogP: 0.6468	Reactive groups: 0

Topological Properties
Globularity: 0.10813	Sterimol/B1: 2.53086	Sterimol/B2: 3.01322	Sterimol/B3: 4.87236
Sterimol/B4: 4.94318	Sterimol/L: 15.1791

Surface and Volume Properties
Accessible surface: 510.347	Positive charged surface: 323.284	Negative charged surface: 187.064	Volume: 264.125
Hydrophobic surface: 266.282	Hydrophilic surface: 244.065

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs01887888
IBS-ZINC04655869