MMsINC Database Search


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MMsINC code: MMs00797509

Type: Neutral
Formula: C₁₅H₁₀F₄N₂O₃

SMILES:

Fc1ccc(cc1)C1(NC(=O)N(Cc2occc2)C1=O)C(F)(F)F

InChI:

InChI=1/C15H10F4N2O3/c16-10-5-3-9(4-6-10)14(15(17,18)19)12(22)21(13(23)20-14)8-11-2-1-7-24-11/h1-7H,8H2,(H,20,23)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.0074 kcal/mol

Physical Properties
Molecular Weight: 342.248 g/mol	logS: -4.69983	SlogP: 3.9261	Reactive groups: 1

Topological Properties
Globularity: 0.207344	Sterimol/B1: 2.98141	Sterimol/B2: 3.33952	Sterimol/B3: 4.60656
Sterimol/B4: 6.79816	Sterimol/L: 11.598

Surface and Volume Properties
Accessible surface: 496.249	Positive charged surface: 202.935	Negative charged surface: 293.314	Volume: 263.75
Hydrophobic surface: 323.152	Hydrophilic surface: 173.097

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.