MMsINC Database Search


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MMsINC code: MMs01264780

Type: Neutral
Formula: C₁₉H₁₄FNO₄

SMILES:

Fc1ccccc1NC(=O)COC(=O)c1cc2c(cc1O)cccc2

InChI:

InChI=1/C19H14FNO4/c20-15-7-3-4-8-16(15)21-18(23)11-25-19(24)14-9-12-5-1-2-6-13(12)10-17(14)22/h1-10,22H,11H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.616 kcal/mol

Physical Properties
Molecular Weight: 339.322 g/mol	logS: -5.57395	SlogP: 3.48	Reactive groups: 0

Topological Properties
Globularity: 0.0101826	Sterimol/B1: 2.54744	Sterimol/B2: 2.55672	Sterimol/B3: 2.92526
Sterimol/B4: 7.8491	Sterimol/L: 18.1218

Surface and Volume Properties
Accessible surface: 588.697	Positive charged surface: 316.934	Negative charged surface: 260.692	Volume: 301.875
Hydrophobic surface: 472.593	Hydrophilic surface: 116.104

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.