MMsINC Database Search


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MMsINC code: MMs01469788

Type: Neutral
Formula: C₂₄H₂₄N₂O₄

SMILES:

O(Cc1ccccc1)c1ccccc1C(OCC(=O)Nc1ccc(N(C)C)cc1)=O

InChI:

InChI=1/C24H24N2O4/c1-26(2)20-14-12-19(13-15-20)25-23(27)17-30-24(28)21-10-6-7-11-22(21)29-16-18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.762 kcal/mol

Physical Properties
Molecular Weight: 404.466 g/mol	logS: -5.50873	SlogP: 4.3935	Reactive groups: 0

Topological Properties
Globularity: 0.0230887	Sterimol/B1: 3.12936	Sterimol/B2: 4.29486	Sterimol/B3: 5.67753
Sterimol/B4: 6.97125	Sterimol/L: 20.9743

Surface and Volume Properties
Accessible surface: 732.639	Positive charged surface: 488.29	Negative charged surface: 244.349	Volume: 396.375
Hydrophobic surface: 649.547	Hydrophilic surface: 83.092

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.