MMsINC Database Search


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MMsINC code: MMs02754638

Type: Neutral
Formula: C₁₆H₁₄FNO

SMILES:

Fc1ccc(cc1)\C=C\C(=O)N(C)c1ccccc1

InChI:

InChI=1/C16H14FNO/c1-18(15-5-3-2-4-6-15)16(19)12-9-13-7-10-14(17)11-8-13/h2-12H,1H3/b12-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.6719 kcal/mol

Physical Properties
Molecular Weight: 255.292 g/mol	logS: -4.04968	SlogP: 3.5019	Reactive groups: 0

Topological Properties
Globularity: 0.0372116	Sterimol/B1: 2.07767	Sterimol/B2: 2.65243	Sterimol/B3: 3.93409
Sterimol/B4: 5.85227	Sterimol/L: 16.7339

Surface and Volume Properties
Accessible surface: 489.961	Positive charged surface: 266.639	Negative charged surface: 223.322	Volume: 252.25
Hydrophobic surface: 461.466	Hydrophilic surface: 28.495

Pharmacophoric Properties
Hydrogen bond donors: 0	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.