MMsINC Database Search


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MMsINC code: MMs03784832

Type: Neutral
Formula: C₁₇H₁₇FN₂O₃

SMILES:

Fc1ccc(cc1)CNC(=O)C(NC(=O)c1ccccc1)CO

InChI:

InChI=1/C17H17FN2O3/c18-14-8-6-12(7-9-14)10-19-17(23)15(11-21)20-16(22)13-4-2-1-3-5-13/h1-9,15,21H,10-11H2,(H,19,23)(H,20,22)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.5094 kcal/mol

Physical Properties
Molecular Weight: 316.332 g/mol	logS: -3.56392	SlogP: 1.4992	Reactive groups: 0

Topological Properties
Globularity: 0.0644624	Sterimol/B1: 2.8689	Sterimol/B2: 3.20736	Sterimol/B3: 3.97441
Sterimol/B4: 4.89062	Sterimol/L: 18.7988

Surface and Volume Properties
Accessible surface: 576.246	Positive charged surface: 324.391	Negative charged surface: 251.855	Volume: 296
Hydrophobic surface: 455.757	Hydrophilic surface: 120.489

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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: no related molecules available.