MMsINC Database Search


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

MMsINC code: MMs01410166

Type: Neutral
Formula: C₂₃H₂₆N₂O₄

SMILES:

O=C1N(Cc2ccc(cc2)C(OC)=O)C(=O)NC1(C)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C23H26N2O4/c1-22(2,3)17-10-12-18(13-11-17)23(4)20(27)25(21(28)24-23)14-15-6-8-16(9-7-15)19(26)29-5/h6-13H,14H2,1-5H3,(H,24,28)/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.28 kcal/mol

Physical Properties
Molecular Weight: 394.471 g/mol	logS: -6.29881	SlogP: 4.3158	Reactive groups: 0

Topological Properties
Globularity: 0.059597	Sterimol/B1: 2.29586	Sterimol/B2: 3.89453	Sterimol/B3: 5.18032
Sterimol/B4: 6.22553	Sterimol/L: 20.6474

Surface and Volume Properties
Accessible surface: 673.337	Positive charged surface: 434.686	Negative charged surface: 238.65	Volume: 386.625
Hydrophobic surface: 485.963	Hydrophilic surface: 187.374

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.