MMsINC Database Search


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MMsINC code: MMs01628682

Type: Neutral
Formula: C₁₆H₁₆FNO₂

SMILES:

Fc1cc(C)c(NC(=O)C(Oc2ccccc2)C)cc1

InChI:

InChI=1/C16H16FNO2/c1-11-10-13(17)8-9-15(11)18-16(19)12(2)20-14-6-4-3-5-7-14/h3-10,12H,1-2H3,(H,18,19)/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.4726 kcal/mol

Physical Properties
Molecular Weight: 273.307 g/mol	logS: -4.21435	SlogP: 3.54012	Reactive groups: 0

Topological Properties
Globularity: 0.052002	Sterimol/B1: 1.97574	Sterimol/B2: 2.34628	Sterimol/B3: 4.40615
Sterimol/B4: 6.72526	Sterimol/L: 16.3394

Surface and Volume Properties
Accessible surface: 519.599	Positive charged surface: 283.476	Negative charged surface: 236.124	Volume: 262.875
Hydrophobic surface: 466.187	Hydrophilic surface: 53.412

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.