MMsINC Database Search


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MMsINC code: MMs01434008

Type: Neutral
Formula: C₁₈H₁₇FN₂O₄

SMILES:

Fc1ccccc1CC(OCC(=O)NC(=O)NCc1ccccc1)=O

InChI:

InChI=1/C18H17FN2O4/c19-15-9-5-4-8-14(15)10-17(23)25-12-16(22)21-18(24)20-11-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,20,21,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.8249 kcal/mol

Physical Properties
Molecular Weight: 344.342 g/mol	logS: -4.29206	SlogP: 2.20377	Reactive groups: 1

Topological Properties
Globularity: 0.0353175	Sterimol/B1: 2.97356	Sterimol/B2: 3.01522	Sterimol/B3: 4.36741
Sterimol/B4: 4.45052	Sterimol/L: 21.1735

Surface and Volume Properties
Accessible surface: 631.359	Positive charged surface: 367.456	Negative charged surface: 263.904	Volume: 314.5
Hydrophobic surface: 487.5	Hydrophilic surface: 143.859

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.