MMsINC Database Search


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MMsINC code: MMs02092291

Type: Neutral
Formula: C₁₄H₁₀F₃NO₃

SMILES:

FC(F)(F)c1cc(Oc2ncccc2C(OC)=O)ccc1

InChI:

InChI=1/C14H10F3NO3/c1-20-13(19)11-6-3-7-18-12(11)21-10-5-2-4-9(8-10)14(15,16)17/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.5345 kcal/mol

Physical Properties
Molecular Weight: 297.232 g/mol	logS: -3.65899	SlogP: 3.9908	Reactive groups: 0

Topological Properties
Globularity: 0.111937	Sterimol/B1: 2.24051	Sterimol/B2: 3.76811	Sterimol/B3: 4.34548
Sterimol/B4: 7.44925	Sterimol/L: 14.5208

Surface and Volume Properties
Accessible surface: 504.057	Positive charged surface: 284.278	Negative charged surface: 219.779	Volume: 243.75
Hydrophobic surface: 357.153	Hydrophilic surface: 146.904

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.