MMsINC Database Search


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MMsINC code: MMs02142992

Type: Neutral
Formula: C₁₄H₁₀FNO₃

SMILES:

Fc1ccc(cc1)C(=O)NC(=O)c1ccccc1O

InChI:

InChI=1/C14H10FNO3/c15-10-7-5-9(6-8-10)13(18)16-14(19)11-3-1-2-4-12(11)17/h1-8,17H,(H,16,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.5788 kcal/mol

Physical Properties
Molecular Weight: 259.236 g/mol	logS: -3.61925	SlogP: 2.1015	Reactive groups: 0

Topological Properties
Globularity: 0.00168485	Sterimol/B1: 2.148	Sterimol/B2: 2.18848	Sterimol/B3: 2.56368
Sterimol/B4: 5.96673	Sterimol/L: 14.8839

Surface and Volume Properties
Accessible surface: 456.938	Positive charged surface: 222.514	Negative charged surface: 234.424	Volume: 227.25
Hydrophobic surface: 350.078	Hydrophilic surface: 106.86

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.