MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00263125

Type: Neutral
Formula: C₂₃H₂₆N₂O₄

SMILES:

O(CC)c1ccc(NC(=O)C=2C(=O)N(c3c(cccc3)C=2O)CCCCC)cc1

InChI:

InChI=1/C23H26N2O4/c1-3-5-8-15-25-19-10-7-6-9-18(19)21(26)20(23(25)28)22(27)24-16-11-13-17(14-12-16)29-4-2/h6-7,9-14,26H,3-5,8,15H2,1-2H3,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.0912 kcal/mol

Physical Properties
Molecular Weight: 394.471 g/mol	logS: -5.72631	SlogP: 4.5299	Reactive groups: 0

Topological Properties
Globularity: 0.0187382	Sterimol/B1: 2.20107	Sterimol/B2: 2.66562	Sterimol/B3: 3.6332
Sterimol/B4: 10.7061	Sterimol/L: 20.4599

Surface and Volume Properties
Accessible surface: 703.083	Positive charged surface: 463.237	Negative charged surface: 239.845	Volume: 386.125
Hydrophobic surface: 562.73	Hydrophilic surface: 140.353

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.