MMsINC Database Search


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MMsINC code: MMs00986542

Type: Neutral
Formula: C₂₂H₂₄N₂O₃

SMILES:

O(CC(=O)N(Cc1ccccc1)CC)C1=CC(=O)N(c2c1cccc2)CC

InChI:

InChI=1/C22H24N2O3/c1-3-23(15-17-10-6-5-7-11-17)22(26)16-27-20-14-21(25)24(4-2)19-13-9-8-12-18(19)20/h5-14H,3-4,15-16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.5663 kcal/mol

Physical Properties
Molecular Weight: 364.445 g/mol	logS: -4.68451	SlogP: 3.7257	Reactive groups: 0

Topological Properties
Globularity: 0.063909	Sterimol/B1: 3.78858	Sterimol/B2: 3.84271	Sterimol/B3: 4.01974
Sterimol/B4: 7.21068	Sterimol/L: 17.5494

Surface and Volume Properties
Accessible surface: 654.691	Positive charged surface: 401.109	Negative charged surface: 253.582	Volume: 365.125
Hydrophobic surface: 541.494	Hydrophilic surface: 113.197

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.