MMsINC Database Search


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MMsINC code: MMs01322869

Type: Neutral
Formula: C₁₉H₂₀FNO₆

SMILES:

Fc1ccc(cc1)CNC(=O)COC(=O)c1cc(OC)c(OC)c(OC)c1

InChI:

InChI=1/C19H20FNO6/c1-24-15-8-13(9-16(25-2)18(15)26-3)19(23)27-11-17(22)21-10-12-4-6-14(20)7-5-12/h4-9H,10-11H2,1-3H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.9225 kcal/mol

Physical Properties
Molecular Weight: 377.368 g/mol	logS: -4.1532	SlogP: 2.5911	Reactive groups: 0

Topological Properties
Globularity: 0.0286117	Sterimol/B1: 2.06109	Sterimol/B2: 3.41489	Sterimol/B3: 3.94253
Sterimol/B4: 9.23263	Sterimol/L: 20.7543

Surface and Volume Properties
Accessible surface: 677.988	Positive charged surface: 481.134	Negative charged surface: 196.853	Volume: 343.875
Hydrophobic surface: 563.742	Hydrophilic surface: 114.246

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.