MMsINC Database Search


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MMsINC code: MMs01414548

Type: Neutral
Formula: C₁₈H₁₉NO₅

SMILES:

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

InChI:

InChI=1/C18H19NO5/c1-22-15-7-3-13(4-8-15)11-19-17(20)12-24-18(21)14-5-9-16(23-2)10-6-14/h3-10H,11-12H2,1-2H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.9061 kcal/mol

Physical Properties
Molecular Weight: 329.352 g/mol	logS: -3.80784	SlogP: 2.4434	Reactive groups: 0

Topological Properties
Globularity: 0.0249044	Sterimol/B1: 2.64678	Sterimol/B2: 3.84438	Sterimol/B3: 4.18334
Sterimol/B4: 4.73149	Sterimol/L: 22.2782

Surface and Volume Properties
Accessible surface: 630.286	Positive charged surface: 432.409	Negative charged surface: 197.877	Volume: 313.75
Hydrophobic surface: 515.068	Hydrophilic surface: 115.218

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.