MMsINC Database Search


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MMsINC code: MMs00788644

Type: Neutral
Formula: C₂₃H₂₆N₂O₄

SMILES:

O(C)c1cc(ccc1OC)C(=O)N(CC1=Cc2c(NC1=O)cccc2)CC(C)C

InChI:

InChI=1/C23H26N2O4/c1-15(2)13-25(23(27)17-9-10-20(28-3)21(12-17)29-4)14-18-11-16-7-5-6-8-19(16)24-22(18)26/h5-12,15H,13-14H2,1-4H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=158.659 kcal/mol

Physical Properties
Molecular Weight: 394.471 g/mol	logS: -4.89077	SlogP: 3.8377	Reactive groups: 0

Topological Properties
Globularity: 0.102519	Sterimol/B1: 2.64645	Sterimol/B2: 3.40227	Sterimol/B3: 4.57999
Sterimol/B4: 10.7839	Sterimol/L: 17.2589

Surface and Volume Properties
Accessible surface: 657.137	Positive charged surface: 458.934	Negative charged surface: 198.203	Volume: 383.125
Hydrophobic surface: 522.933	Hydrophilic surface: 134.204

Pharmacophoric Properties
Hydrogen bond donors: 1	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.