MMsINC Database Search


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MMsINC code: MMs00657036

Type: Neutral
Formula: C₂₂H₂₀FNO

SMILES:

Fc1ccc(cc1)CNC(=O)c1ccccc1CCc1ccccc1

InChI:

InChI=1/C22H20FNO/c23-20-14-11-18(12-15-20)16-24-22(25)21-9-5-4-8-19(21)13-10-17-6-2-1-3-7-17/h1-9,11-12,14-15H,10,13,16H2,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.9058 kcal/mol

Physical Properties
Molecular Weight: 333.406 g/mol	logS: -6.08519	SlogP: 4.80724	Reactive groups: 0

Topological Properties
Globularity: 0.0526419	Sterimol/B1: 2.65335	Sterimol/B2: 3.51645	Sterimol/B3: 4.01603
Sterimol/B4: 9.91317	Sterimol/L: 17.6747

Surface and Volume Properties
Accessible surface: 612.747	Positive charged surface: 331.338	Negative charged surface: 281.409	Volume: 334.375
Hydrophobic surface: 590.431	Hydrophilic surface: 22.316

Pharmacophoric Properties
Hydrogen bond donors: 1	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.