MMsINC Database Search


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MMsINC code: MMs01472973

Type: Neutral
Formula: C₁₈H₁₉NO₆

SMILES:

O(C)c1cc(OC)ccc1NC(=O)COC(=O)c1ccc(cc1O)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.514 kcal/mol

Physical Properties
Molecular Weight: 345.351 g/mol	logS: -3.97577	SlogP: 2.51332	Reactive groups: 0

Topological Properties
Globularity: 0.0188852	Sterimol/B1: 2.75783	Sterimol/B2: 3.42342	Sterimol/B3: 3.60054
Sterimol/B4: 7.20429	Sterimol/L: 18.8858

Surface and Volume Properties
Accessible surface: 626.114	Positive charged surface: 444.611	Negative charged surface: 181.503	Volume: 320.25
Hydrophobic surface: 491.928	Hydrophilic surface: 134.186

Pharmacophoric Properties
Hydrogen bond donors: 2	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.