MMsINC Database Search


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MMsINC code: MMs02197755

Type: Neutral
Formula: C₂₃H₂₄N₂O₄

SMILES:

O(C)c1ccccc1C(O)(C(=O)NNc1cc(ccc1)C)c1ccccc1OC

InChI:

InChI=1/C23H24N2O4/c1-16-9-8-10-17(15-16)24-25-22(26)23(27,18-11-4-6-13-20(18)28-2)19-12-5-7-14-21(19)29-3/h4-15,24,27H,1-3H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=166.185 kcal/mol

Physical Properties
Molecular Weight: 392.455 g/mol	logS: -5.1922	SlogP: 3.70292	Reactive groups: 0

Topological Properties
Globularity: 0.16301	Sterimol/B1: 4.28297	Sterimol/B2: 4.5627	Sterimol/B3: 5.12166
Sterimol/B4: 6.29288	Sterimol/L: 16.3632

Surface and Volume Properties
Accessible surface: 657.552	Positive charged surface: 438.849	Negative charged surface: 218.702	Volume: 381.25
Hydrophobic surface: 596.453	Hydrophilic surface: 61.099

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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.