MMsINC Database Search


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MMsINC code: MMs00536303

Type: Neutral
Formula: C₁₈H₂₀FNO₅

SMILES:

Fc1ccccc1OCCNC(=O)c1cc(OC)c(OC)c(OC)c1

InChI:

InChI=1/C18H20FNO5/c1-22-15-10-12(11-16(23-2)17(15)24-3)18(21)20-8-9-25-14-7-5-4-6-13(14)19/h4-7,10-11H,8-9H2,1-3H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.616 kcal/mol

Physical Properties
Molecular Weight: 349.358 g/mol	logS: -3.82185	SlogP: 2.6603	Reactive groups: 0

Topological Properties
Globularity: 0.049218	Sterimol/B1: 2.68889	Sterimol/B2: 3.56947	Sterimol/B3: 3.87265
Sterimol/B4: 7.61053	Sterimol/L: 17.4031

Surface and Volume Properties
Accessible surface: 629.93	Positive charged surface: 457.544	Negative charged surface: 172.386	Volume: 324.875
Hydrophobic surface: 566.198	Hydrophilic surface: 63.732

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.