MMsINC Database Search


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MMsINC code: MMs01307399

Type: Neutral
Formula: C₁₅H₁₀F₃NO₄

SMILES:

Fc1ccccc1C(ONC(=O)c1ccc(OC(F)F)cc1)=O

InChI:

InChI=1/C15H10F3NO4/c16-12-4-2-1-3-11(12)14(21)23-19-13(20)9-5-7-10(8-6-9)22-15(17)18/h1-8,15H,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.727 kcal/mol

Physical Properties
Molecular Weight: 325.242 g/mol	logS: -4.24823	SlogP: 3.3488	Reactive groups: 0

Topological Properties
Globularity: 0.00382586	Sterimol/B1: 2.63618	Sterimol/B2: 2.64095	Sterimol/B3: 3.37466
Sterimol/B4: 5.34083	Sterimol/L: 18.1239

Surface and Volume Properties
Accessible surface: 526.396	Positive charged surface: 238.92	Negative charged surface: 287.476	Volume: 261.875
Hydrophobic surface: 354.957	Hydrophilic surface: 171.439

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.