MMsINC Database Search


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MMsINC code: MMs00095713

Type: Neutral
Formula: C₁₅H₁₄FNO

SMILES:

Fc1cc(ccc1)C(=O)NCCc1ccccc1

InChI:

InChI=1/C15H14FNO/c16-14-8-4-7-13(11-14)15(18)17-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.6321 kcal/mol

Physical Properties
Molecular Weight: 243.281 g/mol	logS: -3.65536	SlogP: 2.79817	Reactive groups: 0

Topological Properties
Globularity: 0.0523092	Sterimol/B1: 3.5733	Sterimol/B2: 3.61707	Sterimol/B3: 3.61987
Sterimol/B4: 4.47647	Sterimol/L: 16.4872

Surface and Volume Properties
Accessible surface: 487.911	Positive charged surface: 263.145	Negative charged surface: 224.766	Volume: 239.75
Hydrophobic surface: 443.469	Hydrophilic surface: 44.442

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.