MMsINC Database Search


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MMsINC code: MMs02143351

Type: Neutral
Formula: C₁₄H₉F₂NO₃

SMILES:

Fc1cc(F)ccc1C(=O)NC(=O)c1ccccc1O

InChI:

InChI=1/C14H9F2NO3/c15-8-5-6-9(11(16)7-8)13(19)17-14(20)10-3-1-2-4-12(10)18/h1-7,18H,(H,17,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.2705 kcal/mol

Physical Properties
Molecular Weight: 277.226 g/mol	logS: -3.91423	SlogP: 2.2406	Reactive groups: 0

Topological Properties
Globularity: 0.00169453	Sterimol/B1: 2.15144	Sterimol/B2: 2.18545	Sterimol/B3: 2.56383
Sterimol/B4: 5.95258	Sterimol/L: 14.8769

Surface and Volume Properties
Accessible surface: 460.115	Positive charged surface: 217.648	Negative charged surface: 242.467	Volume: 229.375
Hydrophobic surface: 355.558	Hydrophilic surface: 104.557

Pharmacophoric Properties
Hydrogen bond donors: 2	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.