MMsINC Database Search


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MMsINC code: MMs01416051

Type: Neutral
Formula: C₁₈H₁₈FNO₅

SMILES:

Fc1ccc(cc1)CNC(=O)COC(=O)c1c(OC)cccc1OC

InChI:

InChI=1/C18H18FNO5/c1-23-14-4-3-5-15(24-2)17(14)18(22)25-11-16(21)20-10-12-6-8-13(19)9-7-12/h3-9H,10-11H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.2444 kcal/mol

Physical Properties
Molecular Weight: 347.342 g/mol	logS: -4.10282	SlogP: 2.5825	Reactive groups: 0

Topological Properties
Globularity: 0.0296453	Sterimol/B1: 2.35286	Sterimol/B2: 3.4734	Sterimol/B3: 3.75023
Sterimol/B4: 9.52349	Sterimol/L: 18.8315

Surface and Volume Properties
Accessible surface: 638.817	Positive charged surface: 421.939	Negative charged surface: 216.878	Volume: 321
Hydrophobic surface: 539.477	Hydrophilic surface: 99.34

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.