MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01430091

Type: Neutral
Formula: C₁₇H₁₅FN₂O₆

SMILES:

Fc1ccc(NC(=O)CNC(=O)COC(=O)c2ccc(O)cc2O)cc1

InChI:

InChI=1/C17H15FN2O6/c18-10-1-3-11(4-2-10)20-15(23)8-19-16(24)9-26-17(25)13-6-5-12(21)7-14(13)22/h1-7,21-22H,8-9H2,(H,19,24)(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.9816 kcal/mol

Physical Properties
Molecular Weight: 362.313 g/mol	logS: -3.50669	SlogP: 1.1486	Reactive groups: 0

Topological Properties
Globularity: 0.00938593	Sterimol/B1: 2.12451	Sterimol/B2: 3.30464	Sterimol/B3: 3.52638
Sterimol/B4: 4.88465	Sterimol/L: 21.6461

Surface and Volume Properties
Accessible surface: 621.685	Positive charged surface: 369.87	Negative charged surface: 251.814	Volume: 310.25
Hydrophobic surface: 394.447	Hydrophilic surface: 227.238

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.