MMsINC Database Search


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MMsINC code: MMs01978020

Type: Neutral
Formula: C₁₁H₉FN₂O₂

SMILES:

Fc1ccc(NC(=O)c2ocnc2C)cc1

InChI:

InChI=1/C11H9FN2O2/c1-7-10(16-6-13-7)11(15)14-9-4-2-8(12)3-5-9/h2-6H,1H3,(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.0624 kcal/mol

Physical Properties
Molecular Weight: 220.203 g/mol	logS: -2.93069	SlogP: 2.37442	Reactive groups: 0

Topological Properties
Globularity: 0.0294656	Sterimol/B1: 2.08854	Sterimol/B2: 2.09788	Sterimol/B3: 3.10322
Sterimol/B4: 5.785	Sterimol/L: 13.1052

Surface and Volume Properties
Accessible surface: 410.562	Positive charged surface: 250.024	Negative charged surface: 160.537	Volume: 194.875
Hydrophobic surface: 309.39	Hydrophilic surface: 101.172

Pharmacophoric Properties
Hydrogen bond donors: 1	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.