MMsINC Database Search


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MMsINC code: MMs01418098

Type: Neutral
Formula: C₁₉H₂₀F₃NO₅

SMILES:

FC(F)(F)Cn1c(C)c(cc1C)C(=O)COC(=O)c1c(OC)cccc1OC

InChI:

InChI=1/C19H20F3NO5/c1-11-8-13(12(2)23(11)10-19(20,21)22)14(24)9-28-18(25)17-15(26-3)6-5-7-16(17)27-4/h5-8H,9-10H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.032 kcal/mol

Physical Properties
Molecular Weight: 399.365 g/mol	logS: -4.01362	SlogP: 4.41044	Reactive groups: 0

Topological Properties
Globularity: 0.0858954	Sterimol/B1: 2.30633	Sterimol/B2: 5.35748	Sterimol/B3: 6.48253
Sterimol/B4: 6.6419	Sterimol/L: 18.1615

Surface and Volume Properties
Accessible surface: 654.117	Positive charged surface: 401.072	Negative charged surface: 253.046	Volume: 345.75
Hydrophobic surface: 485.765	Hydrophilic surface: 168.352

Pharmacophoric Properties
Hydrogen bond donors: 0	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.