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MMsINC code: MMs02231878

Type: Neutral
Formula: C₁₇H₁₄FNO₅

SMILES:

Fc1ccc(cc1)C(OC(=O)CNC(=O)c1ccccc1)C(O)=O

InChI:

InChI=1/C17H14FNO5/c18-13-8-6-11(7-9-13)15(17(22)23)24-14(20)10-19-16(21)12-4-2-1-3-5-12/h1-9,15H,10H2,(H,19,21)(H,22,23)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.1739 kcal/mol

Physical Properties
Molecular Weight: 331.299 g/mol	logS: -3.9979	SlogP: 2.0201	Reactive groups: 1

Topological Properties
Globularity: 0.0497701	Sterimol/B1: 3.2334	Sterimol/B2: 3.64977	Sterimol/B3: 4.69498
Sterimol/B4: 4.87073	Sterimol/L: 18.3393

Surface and Volume Properties
Accessible surface: 582.948	Positive charged surface: 300.498	Negative charged surface: 282.45	Volume: 289.375
Hydrophobic surface: 420.892	Hydrophilic surface: 162.056

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs02231879
NCID-ZINC01571998