MMsINC Database Search


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MMsINC code: MMs01258195

Type: Neutral
Formula: C₁₈H₂₀FNO₄

SMILES:

Fc1cc(NC(=O)CCc2cc(OC)c(OC)c(OC)c2)ccc1

InChI:

InChI=1/C18H20FNO4/c1-22-15-9-12(10-16(23-2)18(15)24-3)7-8-17(21)20-14-6-4-5-13(19)11-14/h4-6,9-11H,7-8H2,1-3H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.786 kcal/mol

Physical Properties
Molecular Weight: 333.359 g/mol	logS: -3.74438	SlogP: 3.42277	Reactive groups: 0

Topological Properties
Globularity: 0.042031	Sterimol/B1: 2.31283	Sterimol/B2: 3.01232	Sterimol/B3: 3.96872
Sterimol/B4: 9.51003	Sterimol/L: 18.6891

Surface and Volume Properties
Accessible surface: 615.304	Positive charged surface: 449.705	Negative charged surface: 165.598	Volume: 316.25
Hydrophobic surface: 551.575	Hydrophilic surface: 63.729

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.