MMsINC Database Search


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MMsINC code: MMs01406023

Type: Neutral
Formula: C₁₈H₁₉NO₆

SMILES:

O(C)c1cc(OC)ccc1C(=O)COC(=O)c1cccnc1OCC

InChI:

InChI=1/C18H19NO6/c1-4-24-17-14(6-5-9-19-17)18(21)25-11-15(20)13-8-7-12(22-2)10-16(13)23-3/h5-10H,4,11H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.101 kcal/mol

Physical Properties
Molecular Weight: 345.351 g/mol	logS: -3.39733	SlogP: 2.5372	Reactive groups: 0

Topological Properties
Globularity: 0.00786537	Sterimol/B1: 1.969	Sterimol/B2: 2.37938	Sterimol/B3: 2.38128
Sterimol/B4: 8.96087	Sterimol/L: 17.4543

Surface and Volume Properties
Accessible surface: 628.732	Positive charged surface: 473.795	Negative charged surface: 154.938	Volume: 325.5
Hydrophobic surface: 512.986	Hydrophilic surface: 115.746

Pharmacophoric Properties
Hydrogen bond donors: 0	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.