MMsINC Database Search


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MMsINC code: MMs01374735

Type: Neutral
Formula: C₂₂H₂₀FNO

SMILES:

Fc1ccccc1CC(=O)N(C(c1ccccc1)c1ccccc1)C

InChI:

InChI=1/C22H20FNO/c1-24(21(25)16-19-14-8-9-15-20(19)23)22(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,22H,16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.36 kcal/mol

Physical Properties
Molecular Weight: 333.406 g/mol	logS: -5.31727	SlogP: 4.71167	Reactive groups: 0

Topological Properties
Globularity: 0.138987	Sterimol/B1: 2.24114	Sterimol/B2: 2.73516	Sterimol/B3: 4.98105
Sterimol/B4: 8.42616	Sterimol/L: 16.1218

Surface and Volume Properties
Accessible surface: 581.183	Positive charged surface: 337.821	Negative charged surface: 243.362	Volume: 330.875
Hydrophobic surface: 563.506	Hydrophilic surface: 17.677

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.