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MMsINC code: MMs01743534

Type: Neutral
Formula: C₂₂H₂₂N₂O₂

SMILES:

OC(C(=O)NNC(C)c1ccccc1)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C22H22N2O2/c1-17(18-11-5-2-6-12-18)23-24-21(25)22(26,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,23,26H,1H3,(H,24,25)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=145.858 kcal/mol

Physical Properties
Molecular Weight: 346.43 g/mol	logS: -4.88877	SlogP: 3.7115	Reactive groups: 0

Topological Properties
Globularity: 0.158673	Sterimol/B1: 2.4152	Sterimol/B2: 3.74222	Sterimol/B3: 3.77998
Sterimol/B4: 9.54412	Sterimol/L: 15.0567

Surface and Volume Properties
Accessible surface: 591.57	Positive charged surface: 338.923	Negative charged surface: 252.647	Volume: 348.125
Hydrophobic surface: 516.143	Hydrophilic surface: 75.427

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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.