MMsINC Database Search


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

MMsINC code: MMs01796797

Type: Neutral
Formula: C₂₃H₂₆N₂O₅

SMILES:

O(C)c1cc(ccc1OC)C(=O)N(CC1=Cc2cc(OC)ccc2NC1=O)CCC

InChI:

InChI=1/C23H26N2O5/c1-5-10-25(23(27)15-6-9-20(29-3)21(13-15)30-4)14-17-11-16-12-18(28-2)7-8-19(16)24-22(17)26/h6-9,11-13H,5,10,14H2,1-4H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.912 kcal/mol

Physical Properties
Molecular Weight: 410.47 g/mol	logS: -4.73938	SlogP: 3.6003	Reactive groups: 0

Topological Properties
Globularity: 0.0654974	Sterimol/B1: 2.26143	Sterimol/B2: 3.15896	Sterimol/B3: 4.66514
Sterimol/B4: 10.841	Sterimol/L: 18.7968

Surface and Volume Properties
Accessible surface: 697.178	Positive charged surface: 512.936	Negative charged surface: 184.242	Volume: 394.125
Hydrophobic surface: 561.543	Hydrophilic surface: 135.635

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.