MMsINC Database Search


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MMsINC code: MMs02713006

Type: Neutral
Formula: C₂₂H₂₂N₂O₂

SMILES:

O(CC)c1ccc(NC(=O)Nc2ccccc2Cc2ccccc2)cc1

InChI:

InChI=1/C22H22N2O2/c1-2-26-20-14-12-19(13-15-20)23-22(25)24-21-11-7-6-10-18(21)16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3,(H2,23,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.8534 kcal/mol

Physical Properties
Molecular Weight: 346.43 g/mol	logS: -5.43257	SlogP: 5.32007	Reactive groups: 0

Topological Properties
Globularity: 0.0638024	Sterimol/B1: 3.049	Sterimol/B2: 4.80493	Sterimol/B3: 5.59816
Sterimol/B4: 6.03546	Sterimol/L: 18.2356

Surface and Volume Properties
Accessible surface: 637.119	Positive charged surface: 392.368	Negative charged surface: 244.751	Volume: 350.875
Hydrophobic surface: 567.391	Hydrophilic surface: 69.728

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.