MMsINC Database Search


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MMsINC code: MMs01503824

Type: Neutral
Formula: C₁₆H₁₆FNO

SMILES:

Fc1ccc(cc1)CNC(=O)c1ccc(cc1)CC

InChI:

InChI=1/C16H16FNO/c1-2-12-3-7-14(8-4-12)16(19)18-11-13-5-9-15(17)10-6-13/h3-10H,2,11H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.0892 kcal/mol

Physical Properties
Molecular Weight: 257.308 g/mol	logS: -4.58303	SlogP: 3.58447	Reactive groups: 0

Topological Properties
Globularity: 0.0591372	Sterimol/B1: 2.64385	Sterimol/B2: 2.96448	Sterimol/B3: 4.39364
Sterimol/B4: 5.84232	Sterimol/L: 16.0997

Surface and Volume Properties
Accessible surface: 518.672	Positive charged surface: 289.04	Negative charged surface: 229.632	Volume: 257.375
Hydrophobic surface: 448.512	Hydrophilic surface: 70.16

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.