MMsINC Database Search


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MMsINC code: MMs01480986

Type: Neutral
Formula: C₁₆H₁₅NO₅

SMILES:

O(C)c1ccc(NC(=O)COC(=O)c2ccc(O)cc2)cc1

InChI:

InChI=1/C16H15NO5/c1-21-14-8-4-12(5-9-14)17-15(19)10-22-16(20)11-2-6-13(18)7-3-11/h2-9,18H,10H2,1H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.2163 kcal/mol

Physical Properties
Molecular Weight: 301.298 g/mol	logS: -3.45147	SlogP: 2.1963	Reactive groups: 0

Topological Properties
Globularity: 0.0119779	Sterimol/B1: 2.53388	Sterimol/B2: 3.23185	Sterimol/B3: 3.32901
Sterimol/B4: 5.15398	Sterimol/L: 19.3276

Surface and Volume Properties
Accessible surface: 559.526	Positive charged surface: 355.117	Negative charged surface: 204.409	Volume: 277.375
Hydrophobic surface: 412.057	Hydrophilic surface: 147.469

Pharmacophoric Properties
Hydrogen bond donors: 2	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.