MMsINC Database Search


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MMsINC code: MMs00597526

Type: Neutral
Formula: C₂₂H₂₀N₂O₂

SMILES:

O=C(Nc1cc(ccc1)C(=O)NC(C)c1ccccc1)c1ccccc1

InChI:

InChI=1/C22H20N2O2/c1-16(17-9-4-2-5-10-17)23-22(26)19-13-8-14-20(15-19)24-21(25)18-11-6-3-7-12-18/h2-16H,1H3,(H,23,26)(H,24,25)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.5186 kcal/mol

Physical Properties
Molecular Weight: 344.414 g/mol	logS: -5.59611	SlogP: 4.5254	Reactive groups: 0

Topological Properties
Globularity: 0.036675	Sterimol/B1: 1.969	Sterimol/B2: 3.21096	Sterimol/B3: 5.49636
Sterimol/B4: 6.80494	Sterimol/L: 20.1383

Surface and Volume Properties
Accessible surface: 638.197	Positive charged surface: 342.74	Negative charged surface: 295.457	Volume: 344.125
Hydrophobic surface: 546.672	Hydrophilic surface: 91.525

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.