MMsINC Database Search


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MMsINC code: MMs02676829

Type: Neutral
Formula: C₁₇H₁₆FNO₄

SMILES:

Fc1ccccc1C(O)C(NC(=O)c1ccccc1)C(OC)=O

InChI:

InChI=1/C17H16FNO4/c1-23-17(22)14(15(20)12-9-5-6-10-13(12)18)19-16(21)11-7-3-2-4-8-11/h2-10,14-15,20H,1H3,(H,19,21)/t14-,15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.4464 kcal/mol

Physical Properties
Molecular Weight: 317.316 g/mol	logS: -3.79952	SlogP: 1.9262	Reactive groups: 0

Topological Properties
Globularity: 0.0970617	Sterimol/B1: 2.04086	Sterimol/B2: 3.45805	Sterimol/B3: 4.32106
Sterimol/B4: 7.3276	Sterimol/L: 16.4301

Surface and Volume Properties
Accessible surface: 541.437	Positive charged surface: 303.356	Negative charged surface: 238.081	Volume: 288
Hydrophobic surface: 451.356	Hydrophilic surface: 90.081

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.