MMsINC Database Search


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MMsINC code: MMs00454306

Type: Neutral
Formula: C₁₁H₁₀FNO₂

SMILES:

Fc1cc2c(NC(=O)C(CC)=C2O)cc1

InChI:

InChI=1/C11H10FNO2/c1-2-7-10(14)8-5-6(12)3-4-9(8)13-11(7)15/h3-5H,2H2,1H3,(H2,13,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.9831 kcal/mol

Physical Properties
Molecular Weight: 207.204 g/mol	logS: -2.71642	SlogP: 2.4569	Reactive groups: 0

Topological Properties
Globularity: 0.048615	Sterimol/B1: 2.11776	Sterimol/B2: 3.48316	Sterimol/B3: 3.83317
Sterimol/B4: 4.34577	Sterimol/L: 12.1783

Surface and Volume Properties
Accessible surface: 378.907	Positive charged surface: 215.956	Negative charged surface: 162.951	Volume: 184.375
Hydrophobic surface: 261.418	Hydrophilic surface: 117.489

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.