MMsINC Database Search


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MMsINC code: MMs01082895

Type: Neutral
Formula: C₈H₇FN₂O₂

SMILES:

Fc1ccccc1NC(=O)C(=O)N

InChI:

InChI=1/C8H7FN2O2/c9-5-3-1-2-4-6(5)11-8(13)7(10)12/h1-4H,(H2,10,12)(H,11,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.4252 kcal/mol

Physical Properties
Molecular Weight: 182.154 g/mol	logS: -2.16051	SlogP: 0.2495	Reactive groups: 0

Topological Properties
Globularity: 0.0112252	Sterimol/B1: 2.17545	Sterimol/B2: 2.44811	Sterimol/B3: 2.53543
Sterimol/B4: 5.5055	Sterimol/L: 12.1158

Surface and Volume Properties
Accessible surface: 350.667	Positive charged surface: 186.955	Negative charged surface: 163.712	Volume: 154.25
Hydrophobic surface: 196.464	Hydrophilic surface: 154.203

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.