MMsINC Database Search


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MMsINC code: MMs01265389

Type: Neutral
Formula: C₁₈H₁₄FNO

SMILES:

Fc1ccccc1CNC(=O)c1cc2c(cc1)cccc2

InChI:

InChI=1/C18H14FNO/c19-17-8-4-3-7-16(17)12-20-18(21)15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.5684 kcal/mol

Physical Properties
Molecular Weight: 279.314 g/mol	logS: -5.47177	SlogP: 4.1753	Reactive groups: 0

Topological Properties
Globularity: 0.0402366	Sterimol/B1: 3.20249	Sterimol/B2: 3.4314	Sterimol/B3: 3.93552
Sterimol/B4: 5.32767	Sterimol/L: 16.5991

Surface and Volume Properties
Accessible surface: 525.559	Positive charged surface: 261.948	Negative charged surface: 252.54	Volume: 269.25
Hydrophobic surface: 480.973	Hydrophilic surface: 44.586

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.