MMsINC Database Search


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MMsINC code: MMs01410010

Type: Neutral
Formula: C₁₈H₁₄F₃NO₄

SMILES:

FC(F)(F)c1ccccc1C(OCC(=O)Nc1ccccc1C(=O)C)=O

InChI:

InChI=1/C18H14F3NO4/c1-11(23)12-6-3-5-9-15(12)22-16(24)10-26-17(25)13-7-2-4-8-14(13)18(19,20)21/h2-9H,10H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.869 kcal/mol

Physical Properties
Molecular Weight: 365.307 g/mol	logS: -5.13186	SlogP: 4.015	Reactive groups: 0

Topological Properties
Globularity: 0.0266559	Sterimol/B1: 2.53451	Sterimol/B2: 2.57025	Sterimol/B3: 4.27654
Sterimol/B4: 7.15769	Sterimol/L: 16.9607

Surface and Volume Properties
Accessible surface: 585.956	Positive charged surface: 286.944	Negative charged surface: 299.012	Volume: 305.25
Hydrophobic surface: 406.651	Hydrophilic surface: 179.305

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.