MMsINC Database Search


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MMsINC code: MMs00723320

Type: Neutral
Formula: C₁₁H₁₃FN₂O₂

SMILES:

Fc1ccc(NC(=O)C(=O)NC(C)C)cc1

InChI:

InChI=1/C11H13FN2O2/c1-7(2)13-10(15)11(16)14-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H,13,15)(H,14,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.8829 kcal/mol

Physical Properties
Molecular Weight: 224.235 g/mol	logS: -2.70894	SlogP: 1.2888	Reactive groups: 0

Topological Properties
Globularity: 0.0502624	Sterimol/B1: 2.12153	Sterimol/B2: 3.51827	Sterimol/B3: 4.12346
Sterimol/B4: 4.8346	Sterimol/L: 14.9037

Surface and Volume Properties
Accessible surface: 443.402	Positive charged surface: 259.671	Negative charged surface: 183.73	Volume: 209.875
Hydrophobic surface: 310.294	Hydrophilic surface: 133.108

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