MMsINC Database Search


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MMsINC code: MMs00501901

Type: Neutral
Formula: C₁₆H₁₄FNO₂

SMILES:

Fc1ccc(NC(=O)\C=C\c2ccccc2OC)cc1

InChI:

InChI=1/C16H14FNO2/c1-20-15-5-3-2-4-12(15)6-11-16(19)18-14-9-7-13(17)8-10-14/h2-11H,1H3,(H,18,19)/b11-6+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.1382 kcal/mol

Physical Properties
Molecular Weight: 271.291 g/mol	logS: -4.20605	SlogP: 3.4862	Reactive groups: 0

Topological Properties
Globularity: 0.0124431	Sterimol/B1: 2.37952	Sterimol/B2: 2.536	Sterimol/B3: 3.01076
Sterimol/B4: 7.42533	Sterimol/L: 16.4645

Surface and Volume Properties
Accessible surface: 515.289	Positive charged surface: 298.087	Negative charged surface: 217.203	Volume: 260
Hydrophobic surface: 466.655	Hydrophilic surface: 48.634

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.