MMsINC Database Search


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MMsINC code: MMs00122033

Type: Neutral
Formula: C₁₃H₁₅NO₅

SMILES:

O(C(=O)c1ccccc1NC(=O)CCC(OC)=O)C

InChI:

InChI=1/C13H15NO5/c1-18-12(16)8-7-11(15)14-10-6-4-3-5-9(10)13(17)19-2/h3-6H,7-8H2,1-2H3,(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.6961 kcal/mol

Physical Properties
Molecular Weight: 265.265 g/mol	logS: -2.14071	SlogP: 1.3649	Reactive groups: 1

Topological Properties
Globularity: 0.016765	Sterimol/B1: 2.74016	Sterimol/B2: 2.88677	Sterimol/B3: 4.64007
Sterimol/B4: 6.15876	Sterimol/L: 15.9136

Surface and Volume Properties
Accessible surface: 516.172	Positive charged surface: 375.208	Negative charged surface: 140.964	Volume: 244.75
Hydrophobic surface: 409.64	Hydrophilic surface: 106.532

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.