MMsINC Database Search


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MMsINC code: MMs02290239

Type: Neutral
Formula: C₁₁H₁₂FNO₂

SMILES:

Fc1cc(ccc1)C1N(C)C(=O)C(O)C1

InChI:

InChI=1/C11H12FNO2/c1-13-9(6-10(14)11(13)15)7-3-2-4-8(12)5-7/h2-5,9-10,14H,6H2,1H3/t9-,10+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.2703 kcal/mol

Physical Properties
Molecular Weight: 209.22 g/mol	logS: -1.86807	SlogP: 1.1853	Reactive groups: 0

Topological Properties
Globularity: 0.181568	Sterimol/B1: 2.13678	Sterimol/B2: 2.35432	Sterimol/B3: 4.54917
Sterimol/B4: 5.93631	Sterimol/L: 11.9061

Surface and Volume Properties
Accessible surface: 398.994	Positive charged surface: 250.053	Negative charged surface: 148.942	Volume: 194.75
Hydrophobic surface: 310.238	Hydrophilic surface: 88.756

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	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

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Ions/Tautomers related molecules: no related molecules available.