MMsINC Database Search


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MMsINC code: MMs02111095

Type: Neutral
Formula: C₁₉H₂₀FNO₂

SMILES:

Fc1ccc(cc1)CNC(=O)\C=C\c1ccc(OCCC)cc1

InChI:

InChI=1/C19H20FNO2/c1-2-13-23-18-10-5-15(6-11-18)7-12-19(22)21-14-16-3-8-17(20)9-4-16/h3-12H,2,13-14H2,1H3,(H,21,22)/b12-7+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.317 kcal/mol

Physical Properties
Molecular Weight: 313.372 g/mol	logS: -4.67907	SlogP: 4.2105	Reactive groups: 0

Topological Properties
Globularity: 0.0255144	Sterimol/B1: 2.38653	Sterimol/B2: 3.61821	Sterimol/B3: 3.62004
Sterimol/B4: 7.80025	Sterimol/L: 19.5416

Surface and Volume Properties
Accessible surface: 621.962	Positive charged surface: 360.587	Negative charged surface: 261.375	Volume: 316.75
Hydrophobic surface: 537.774	Hydrophilic surface: 84.188

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.