MMsINC Database Search


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MMsINC code: MMs00706112

Type: Neutral
Formula: C₂₂H₂₀FNO₂

SMILES:

Fc1ccc(OCCNC(=O)C(c2ccccc2)c2ccccc2)cc1

InChI:

InChI=1/C22H20FNO2/c23-19-11-13-20(14-12-19)26-16-15-24-22(25)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.061 kcal/mol

Physical Properties
Molecular Weight: 349.405 g/mol	logS: -5.37464	SlogP: 4.1528	Reactive groups: 0

Topological Properties
Globularity: 0.123174	Sterimol/B1: 2.55858	Sterimol/B2: 3.93973	Sterimol/B3: 4.13487
Sterimol/B4: 7.89094	Sterimol/L: 18.1095

Surface and Volume Properties
Accessible surface: 640.974	Positive charged surface: 366.628	Negative charged surface: 274.346	Volume: 344.375
Hydrophobic surface: 608.211	Hydrophilic surface: 32.763

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.