MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01453332

Type: Neutral
Formula: C₁₄H₁₀F₂N₂O₂

SMILES:

Fc1cc(cc(F)c1)C(=O)Nc1ccc(cc1)C(=O)N

InChI:

InChI=1/C14H10F2N2O2/c15-10-5-9(6-11(16)7-10)14(20)18-12-3-1-8(2-4-12)13(17)19/h1-7H,(H2,17,19)(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.7522 kcal/mol

Physical Properties
Molecular Weight: 276.242 g/mol	logS: -4.19695	SlogP: 2.316	Reactive groups: 0

Topological Properties
Globularity: 0.0130695	Sterimol/B1: 2.097	Sterimol/B2: 2.458	Sterimol/B3: 3.03711
Sterimol/B4: 5.23241	Sterimol/L: 16.2724

Surface and Volume Properties
Accessible surface: 472.225	Positive charged surface: 227.367	Negative charged surface: 244.858	Volume: 234.375
Hydrophobic surface: 331.811	Hydrophilic surface: 140.414

Pharmacophoric Properties
Hydrogen bond donors: 2	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.