MMsINC Database Search


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MMsINC code: MMs00911674

Type: Neutral
Formula: C₁₉H₁₆FNO₄

SMILES:

Fc1ccc(cc1)C(=O)COC(=O)C1CC(=O)N(C1)c1ccccc1

InChI:

InChI=1/C19H16FNO4/c20-15-8-6-13(7-9-15)17(22)12-25-19(24)14-10-18(23)21(11-14)16-4-2-1-3-5-16/h1-9,14H,10-12H2/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.1479 kcal/mol

Physical Properties
Molecular Weight: 341.338 g/mol	logS: -4.07062	SlogP: 2.6047	Reactive groups: 0

Topological Properties
Globularity: 0.01567	Sterimol/B1: 2.59272	Sterimol/B2: 3.38922	Sterimol/B3: 3.41028
Sterimol/B4: 4.97043	Sterimol/L: 20.3421

Surface and Volume Properties
Accessible surface: 589.688	Positive charged surface: 319.058	Negative charged surface: 270.629	Volume: 311.625
Hydrophobic surface: 484.532	Hydrophilic surface: 105.156

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.