MMsINC Database Search


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MMsINC code: MMs02951385

Type: Neutral
Formula: C₁₆H₁₆FNO

SMILES:

Fc1ccccc1NC(=O)CCCc1ccccc1

InChI:

InChI=1/C16H16FNO/c17-14-10-4-5-11-15(14)18-16(19)12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.207 kcal/mol

Physical Properties
Molecular Weight: 257.308 g/mol	logS: -4.10846	SlogP: 3.78707	Reactive groups: 0

Topological Properties
Globularity: 0.0543899	Sterimol/B1: 3.27586	Sterimol/B2: 3.48823	Sterimol/B3: 4.0449
Sterimol/B4: 4.85557	Sterimol/L: 16.5768

Surface and Volume Properties
Accessible surface: 514.386	Positive charged surface: 296.636	Negative charged surface: 217.75	Volume: 256.75
Hydrophobic surface: 473.619	Hydrophilic surface: 40.767

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.