MMsINC Database Search


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MMsINC code: MMs01524884

Type: Neutral
Formula: C₁₆H₁₆FNO₂

SMILES:

Fc1ccc(cc1)C(NC(=O)c1cc(OC)ccc1)C

InChI:

InChI=1/C16H16FNO2/c1-11(12-6-8-14(17)9-7-12)18-16(19)13-4-3-5-15(10-13)20-2/h3-11H,1-2H3,(H,18,19)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.6591 kcal/mol

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

Topological Properties
Globularity: 0.0510012	Sterimol/B1: 2.17597	Sterimol/B2: 2.30445	Sterimol/B3: 4.81123
Sterimol/B4: 6.2384	Sterimol/L: 16.5492

Surface and Volume Properties
Accessible surface: 517.864	Positive charged surface: 304.511	Negative charged surface: 213.353	Volume: 265
Hydrophobic surface: 453.76	Hydrophilic surface: 64.104

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.