MMsINC Database Search


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MMsINC code: MMs01347515

Type: Neutral
Formula: C₁₆H₁₆FNO

SMILES:

Fc1ccc(cc1)CNC(=O)c1cccc(C)c1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.8979 kcal/mol

Physical Properties
Molecular Weight: 257.308 g/mol	logS: -4.54173	SlogP: 3.63894	Reactive groups: 0

Topological Properties
Globularity: 0.0570275	Sterimol/B1: 3.62883	Sterimol/B2: 3.74661	Sterimol/B3: 3.89165
Sterimol/B4: 4.86086	Sterimol/L: 15.7515

Surface and Volume Properties
Accessible surface: 493.175	Positive charged surface: 280.944	Negative charged surface: 212.232	Volume: 256.375
Hydrophobic surface: 457.031	Hydrophilic surface: 36.144

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.