MMsINC Database Search


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MMsINC code: MMs00781939

Type: Neutral
Formula: C₁₁H₁₄F₂N₂O

SMILES:

Fc1cc(NC(=O)N(CC)CC)cc(F)c1

InChI:

InChI=1/C11H14F2N2O/c1-3-15(4-2)11(16)14-10-6-8(12)5-9(13)7-10/h5-7H,3-4H2,1-2H3,(H,14,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=11.602 kcal/mol

Physical Properties
Molecular Weight: 228.242 g/mol	logS: -2.56658	SlogP: 2.8385	Reactive groups: 0

Topological Properties
Globularity: 0.122944	Sterimol/B1: 2.33093	Sterimol/B2: 2.50959	Sterimol/B3: 4.24402
Sterimol/B4: 6.10919	Sterimol/L: 12.4994

Surface and Volume Properties
Accessible surface: 438.177	Positive charged surface: 259.863	Negative charged surface: 178.314	Volume: 211.75
Hydrophobic surface: 369.486	Hydrophilic surface: 68.691

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.