MMsINC Database Search


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MMsINC code: MMs00730090

Type: Neutral
Formula: C₁₁H₁₃FN₂O₃

SMILES:

Fc1cc(NC(=O)C(=O)NCC(O)C)ccc1

InChI:

InChI=1/C11H13FN2O3/c1-7(15)6-13-10(16)11(17)14-9-4-2-3-8(12)5-9/h2-5,7,15H,6H2,1H3,(H,13,16)(H,14,17)/t7-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.3699 kcal/mol

Physical Properties
Molecular Weight: 240.234 g/mol	logS: -2.17919	SlogP: 0.2612	Reactive groups: 0

Topological Properties
Globularity: 0.0259388	Sterimol/B1: 2.60425	Sterimol/B2: 3.37566	Sterimol/B3: 3.66741
Sterimol/B4: 4.27196	Sterimol/L: 15.8448

Surface and Volume Properties
Accessible surface: 464.719	Positive charged surface: 280.607	Negative charged surface: 184.112	Volume: 214.875
Hydrophobic surface: 301.162	Hydrophilic surface: 163.557

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.