MMsINC Database Search


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MMsINC code: MMs00797617

Type: Neutral
Formula: C₁₆H₁₄FNO₂

SMILES:

Fc1ccc(cc1)C(=O)Nc1cc(OCC=C)ccc1

InChI:

InChI=1/C16H14FNO2/c1-2-10-20-15-5-3-4-14(11-15)18-16(19)12-6-8-13(17)9-7-12/h2-9,11H,1,10H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.1946 kcal/mol

Physical Properties
Molecular Weight: 271.291 g/mol	logS: -4.19646	SlogP: 3.6428	Reactive groups: 0

Topological Properties
Globularity: 0.0219776	Sterimol/B1: 2.097	Sterimol/B2: 2.45955	Sterimol/B3: 3.46976
Sterimol/B4: 6.90672	Sterimol/L: 17.3126

Surface and Volume Properties
Accessible surface: 522.119	Positive charged surface: 276.654	Negative charged surface: 245.464	Volume: 257.625
Hydrophobic surface: 419.316	Hydrophilic surface: 102.803

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.