MMsINC Database Search


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MMsINC code: MMs01414033

Type: Neutral
Formula: C₁₈H₁₉NO₆

SMILES:

O(C)c1cc(OC)ccc1NC(=O)COC(=O)c1ccc(OC)cc1

InChI:

InChI=1/C18H19NO6/c1-22-13-6-4-12(5-7-13)18(21)25-11-17(20)19-15-9-8-14(23-2)10-16(15)24-3/h4-10H,11H2,1-3H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.143 kcal/mol

Physical Properties
Molecular Weight: 345.351 g/mol	logS: -3.91418	SlogP: 2.5079	Reactive groups: 0

Topological Properties
Globularity: 0.0185015	Sterimol/B1: 2.7887	Sterimol/B2: 3.17819	Sterimol/B3: 3.68206
Sterimol/B4: 7.55625	Sterimol/L: 18.7313

Surface and Volume Properties
Accessible surface: 631.475	Positive charged surface: 462.28	Negative charged surface: 169.194	Volume: 320.375
Hydrophobic surface: 523.819	Hydrophilic surface: 107.656

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.