MMsINC Database Search


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MMsINC code: MMs01393070

Type: Neutral
Formula: C₁₆H₁₆FNO₂

SMILES:

Fc1ccccc1C(=O)NC(C)c1ccccc1OC

InChI:

InChI=1/C16H16FNO2/c1-11(12-7-4-6-10-15(12)20-2)18-16(19)13-8-3-5-9-14(13)17/h3-11H,1-2H3,(H,18,19)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.3739 kcal/mol

Physical Properties
Molecular Weight: 273.307 g/mol	logS: -3.97148	SlogP: 3.4208	Reactive groups: 0

Topological Properties
Globularity: 0.0624881	Sterimol/B1: 2.19864	Sterimol/B2: 2.88616	Sterimol/B3: 5.17338
Sterimol/B4: 6.44772	Sterimol/L: 14.9089

Surface and Volume Properties
Accessible surface: 506.621	Positive charged surface: 303.287	Negative charged surface: 203.334	Volume: 264.25
Hydrophobic surface: 454.287	Hydrophilic surface: 52.334

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.