MMsINC Database Search


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MMsINC code: MMs01758140

Type: Neutral
Formula: C₂₃H₂₄N₂O₄

SMILES:

O(C)c1ccccc1C(O)(C(=O)NN(C)c1ccccc1)c1ccccc1OC

InChI:

InChI=1/C23H24N2O4/c1-25(17-11-5-4-6-12-17)24-22(26)23(27,18-13-7-9-15-20(18)28-2)19-14-8-10-16-21(19)29-3/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)=165.407 kcal/mol

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

Topological Properties
Globularity: 0.205153	Sterimol/B1: 2.9072	Sterimol/B2: 4.37632	Sterimol/B3: 5.12206
Sterimol/B4: 9.96018	Sterimol/L: 15.2508

Surface and Volume Properties
Accessible surface: 625.724	Positive charged surface: 429.574	Negative charged surface: 196.149	Volume: 387.125
Hydrophobic surface: 581.62	Hydrophilic surface: 44.104

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.