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MMsINC code: MMs02552942

Type: Ionized
Formula: C₁₄H₁₇FNO₅-

SMILES:

Fc1ccccc1C(O)C(NC(OC(C)(C)C)=O)C(=O)[O-]

InChI:

InChI=1/C14H18FNO5/c1-14(2,3)21-13(20)16-10(12(18)19)11(17)8-6-4-5-7-9(8)15/h4-7,10-11,17H,1-3H3,(H,16,20)(H,18,19)/p-1/t10-,11+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.2695 kcal/mol

Physical Properties
Molecular Weight: 298.29 g/mol	logS: -2.93819	SlogP: 0.5978	Reactive groups: 0

Topological Properties
Globularity: 0.196501	Sterimol/B1: 2.29885	Sterimol/B2: 5.03375	Sterimol/B3: 5.31242
Sterimol/B4: 6.23417	Sterimol/L: 11.5611

Surface and Volume Properties
Accessible surface: 495.598	Positive charged surface: 280.986	Negative charged surface: 214.612	Volume: 268.5
Hydrophobic surface: 312.335	Hydrophilic surface: 183.263

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 2	Basic groups: 0
Chiral centers: 2

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:

Parent related molecule:

MMs02552941
OAKWOOD-ZINC04299307