MMsINC Database Search


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MMsINC code: MMs01481075

Type: Neutral
Formula: C₁₇H₁₅FN₂O₅

SMILES:

Fc1ccc(NC(=O)CNC(=O)COC(=O)c2ccc(O)cc2)cc1

InChI:

InChI=1/C17H15FN2O5/c18-12-3-5-13(6-4-12)20-15(22)9-19-16(23)10-25-17(24)11-1-7-14(21)8-2-11/h1-8,21H,9-10H2,(H,19,23)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.2065 kcal/mol

Physical Properties
Molecular Weight: 346.314 g/mol	logS: -3.86864	SlogP: 1.443	Reactive groups: 0

Topological Properties
Globularity: 0.00729962	Sterimol/B1: 2.52258	Sterimol/B2: 2.63627	Sterimol/B3: 2.92091
Sterimol/B4: 5.25923	Sterimol/L: 21.6974

Surface and Volume Properties
Accessible surface: 606.271	Positive charged surface: 348.54	Negative charged surface: 257.731	Volume: 302.375
Hydrophobic surface: 419.466	Hydrophilic surface: 186.805

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