MMsINC Database Search


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MMsINC code: MMs01231159

Type: Neutral
Formula: C₁₆H₁₆FNO₂

SMILES:

Fc1ccccc1NC(=O)CCc1ccc(OC)cc1

InChI:

InChI=1/C16H16FNO2/c1-20-13-9-6-12(7-10-13)8-11-16(19)18-15-5-3-2-4-14(15)17/h2-7,9-10H,8,11H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.4656 kcal/mol

Physical Properties
Molecular Weight: 273.307 g/mol	logS: -3.64362	SlogP: 3.40557	Reactive groups: 0

Topological Properties
Globularity: 0.0335713	Sterimol/B1: 3.03763	Sterimol/B2: 3.09619	Sterimol/B3: 3.2139
Sterimol/B4: 4.70791	Sterimol/L: 18.4475

Surface and Volume Properties
Accessible surface: 530.092	Positive charged surface: 331.07	Negative charged surface: 199.022	Volume: 262.875
Hydrophobic surface: 478.123	Hydrophilic surface: 51.969

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.