MMsINC Database Search


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MMsINC code: MMs03750526

Type: Neutral
Formula: C₁₆H₁₆FNO₂

SMILES:

Fc1ccccc1C(=O)NC(C(O)c1ccccc1)C

InChI:

InChI=1/C16H16FNO2/c1-11(15(19)12-7-3-2-4-8-12)18-16(20)13-9-5-6-10-14(13)17/h2-11,15,19H,1H3,(H,18,20)/t11-,15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.6282 kcal/mol

Physical Properties
Molecular Weight: 273.307 g/mol	logS: -3.71856	SlogP: 2.7731	Reactive groups: 0

Topological Properties
Globularity: 0.0810296	Sterimol/B1: 2.24497	Sterimol/B2: 3.27698	Sterimol/B3: 4.27699
Sterimol/B4: 5.1984	Sterimol/L: 16.4397

Surface and Volume Properties
Accessible surface: 504.763	Positive charged surface: 269.506	Negative charged surface: 235.257	Volume: 263.625
Hydrophobic surface: 420.989	Hydrophilic surface: 83.774

Pharmacophoric Properties
Hydrogen bond donors: 2	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.