MMsINC Database Search


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MMsINC code: MMs03315067

Type: Neutral
Formula: C₂₂H₂₂N₂O₂

SMILES:

O(C)c1ccc(N\C(=N\c2ccc(OC)cc2)\c2ccc(cc2)C)cc1

InChI:

InChI=1/C22H22N2O2/c1-16-4-6-17(7-5-16)22(23-18-8-12-20(25-2)13-9-18)24-19-10-14-21(26-3)15-11-19/h4-15H,1-3H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.376 kcal/mol

Physical Properties
Molecular Weight: 346.43 g/mol	logS: -5.84818	SlogP: 5.20262	Reactive groups: 0

Topological Properties
Globularity: 0.0628057	Sterimol/B1: 2.49804	Sterimol/B2: 3.24222	Sterimol/B3: 3.69044
Sterimol/B4: 9.36469	Sterimol/L: 16.5857

Surface and Volume Properties
Accessible surface: 624.048	Positive charged surface: 429.615	Negative charged surface: 194.433	Volume: 348.375
Hydrophobic surface: 587.019	Hydrophilic surface: 37.029

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.