MMsINC Database Search


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

MMsINC code: MMs00350857

Type: Neutral
Formula: C₂₃H₂₆N₂O₅

SMILES:

O(C)c1c(OC)cc(cc1OC)C(=O)N(CC1=Cc2cc(ccc2NC1=O)C)CC

InChI:

InChI=1/C23H26N2O5/c1-6-25(13-17-10-15-9-14(2)7-8-18(15)24-22(17)26)23(27)16-11-19(28-3)21(30-5)20(12-16)29-4/h7-12H,6,13H2,1-5H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.656 kcal/mol

Physical Properties
Molecular Weight: 410.47 g/mol	logS: -5.01153	SlogP: 3.51862	Reactive groups: 0

Topological Properties
Globularity: 0.0852706	Sterimol/B1: 2.33941	Sterimol/B2: 3.60504	Sterimol/B3: 4.45982
Sterimol/B4: 10.2111	Sterimol/L: 17.1857

Surface and Volume Properties
Accessible surface: 683.729	Positive charged surface: 503.024	Negative charged surface: 180.705	Volume: 393.375
Hydrophobic surface: 561.47	Hydrophilic surface: 122.259

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.