MMsINC Database Search


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MMsINC code: MMs01586347

Type: Neutral
Formula: C₁₃H₁₇FN₂O₃

SMILES:

Fc1ccccc1OCC(=O)NC(=O)NC(C)(C)C

InChI:

InChI=1/C13H17FN2O3/c1-13(2,3)16-12(18)15-11(17)8-19-10-7-5-4-6-9(10)14/h4-7H,8H2,1-3H3,(H2,15,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.3372 kcal/mol

Physical Properties
Molecular Weight: 268.288 g/mol	logS: -3.11297	SlogP: 1.8288	Reactive groups: 0

Topological Properties
Globularity: 0.0300754	Sterimol/B1: 2.37549	Sterimol/B2: 3.37945	Sterimol/B3: 4.65927
Sterimol/B4: 4.87374	Sterimol/L: 17.1226

Surface and Volume Properties
Accessible surface: 507.603	Positive charged surface: 309.192	Negative charged surface: 198.411	Volume: 250
Hydrophobic surface: 363.612	Hydrophilic surface: 143.991

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.