MMsINC Database Search


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MMsINC code: MMs01763915

Type: Neutral
Formula: C₂₃H₂₄N₂O₄

SMILES:

O(C)c1ccc(cc1)C(O)(C(=O)NN(C)c1ccccc1)c1ccc(OC)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=166.249 kcal/mol

Physical Properties
Molecular Weight: 392.455 g/mol	logS: -4.79386	SlogP: 3.4188	Reactive groups: 0

Topological Properties
Globularity: 0.18254	Sterimol/B1: 1.97336	Sterimol/B2: 4.2269	Sterimol/B3: 4.56616
Sterimol/B4: 11.7482	Sterimol/L: 16.7887

Surface and Volume Properties
Accessible surface: 659.909	Positive charged surface: 456.742	Negative charged surface: 203.167	Volume: 382.75
Hydrophobic surface: 593.929	Hydrophilic surface: 65.98

Pharmacophoric Properties
Hydrogen bond donors: 2	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.