MMsINC Database Search


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MMsINC code: MMs01444328

Type: Neutral
Formula: C₂₁H₁₇FN₂O₄

SMILES:

Fc1ccc(NC(=O)CNC(=O)COC(=O)c2c3c(ccc2)cccc3)cc1

InChI:

InChI=1/C21H17FN2O4/c22-15-8-10-16(11-9-15)24-19(25)12-23-20(26)13-28-21(27)18-7-3-5-14-4-1-2-6-17(14)18/h1-11H,12-13H2,(H,23,26)(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.253 kcal/mol

Physical Properties
Molecular Weight: 380.375 g/mol	logS: -6.10847	SlogP: 2.8906	Reactive groups: 0

Topological Properties
Globularity: 0.00615955	Sterimol/B1: 2.54752	Sterimol/B2: 2.81379	Sterimol/B3: 3.23462
Sterimol/B4: 6.73719	Sterimol/L: 22.0457

Surface and Volume Properties
Accessible surface: 664.826	Positive charged surface: 362.05	Negative charged surface: 291.704	Volume: 344.25
Hydrophobic surface: 534.735	Hydrophilic surface: 130.091

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.