MMsINC Database Search


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MMsINC code: MMs02859990

Type: Neutral
Formula: C₁₃H₁₄FNO₃

SMILES:

Fc1ccc(cc1)C(=O)NC1CC(OC1=O)(C)C

InChI:

InChI=1/C13H14FNO3/c1-13(2)7-10(12(17)18-13)15-11(16)8-3-5-9(14)6-4-8/h3-6,10H,7H2,1-2H3,(H,15,16)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.0616 kcal/mol

Physical Properties
Molecular Weight: 251.257 g/mol	logS: -3.23919	SlogP: 1.6496	Reactive groups: 0

Topological Properties
Globularity: 0.0523584	Sterimol/B1: 2.68692	Sterimol/B2: 3.4657	Sterimol/B3: 4.61456
Sterimol/B4: 4.64932	Sterimol/L: 14.8164

Surface and Volume Properties
Accessible surface: 465.156	Positive charged surface: 247.946	Negative charged surface: 217.21	Volume: 230.5
Hydrophobic surface: 335.445	Hydrophilic surface: 129.711

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.