MMsINC Database Search


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MMsINC code: MMs02082853

Type: Neutral
Formula: C₁₁H₁₂F₂N₂O₂

SMILES:

Fc1ccc(F)cc1NC(=O)C(=O)NC(C)C

InChI:

InChI=1/C11H12F2N2O2/c1-6(2)14-10(16)11(17)15-9-5-7(12)3-4-8(9)13/h3-6H,1-2H3,(H,14,16)(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.1798 kcal/mol

Physical Properties
Molecular Weight: 242.225 g/mol	logS: -3.00392	SlogP: 1.4279	Reactive groups: 0

Topological Properties
Globularity: 0.0507031	Sterimol/B1: 2.13661	Sterimol/B2: 3.83446	Sterimol/B3: 4.38494
Sterimol/B4: 4.85629	Sterimol/L: 14.6422

Surface and Volume Properties
Accessible surface: 451.97	Positive charged surface: 252.651	Negative charged surface: 199.32	Volume: 211.5
Hydrophobic surface: 318.99	Hydrophilic surface: 132.98

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

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Ions/Tautomers related molecules: no related molecules available.