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MMsINC code: MMs03781515

Type: Neutral
Formula: C₁₀H₁₂F₂N₂O₃

SMILES:

FC1(F)C(CN2C=C(C)C(=O)NC2=O)C1CO

InChI:

InChI=1/C10H12F2N2O3/c1-5-2-14(9(17)13-8(5)16)3-6-7(4-15)10(6,11)12/h2,6-7,15H,3-4H2,1H3,(H,13,16,17)/t6-,7+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-2.26347 kcal/mol

Physical Properties
Molecular Weight: 246.213 g/mol	logS: -1.12631	SlogP: 0.7355	Reactive groups: 0

Topological Properties
Globularity: 0.0873366	Sterimol/B1: 2.27849	Sterimol/B2: 2.99111	Sterimol/B3: 3.48548
Sterimol/B4: 5.8067	Sterimol/L: 12.9851

Surface and Volume Properties
Accessible surface: 425.019	Positive charged surface: 246.082	Negative charged surface: 178.936	Volume: 204.625
Hydrophobic surface: 185.021	Hydrophilic surface: 239.998

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.