MMsINC Database Search


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

MMsINC code: MMs01666043

Type: Neutral
Formula: C₂₃H₂₃NO₄

SMILES:

O(c1ccc(OCC(=O)N(Cc2ccc(OC)cc2)C)cc1)c1ccccc1

InChI:

InChI=1/C23H23NO4/c1-24(16-18-8-10-19(26-2)11-9-18)23(25)17-27-20-12-14-22(15-13-20)28-21-6-4-3-5-7-21/h3-15H,16-17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.794 kcal/mol

Physical Properties
Molecular Weight: 377.44 g/mol	logS: -5.10283	SlogP: 4.7913	Reactive groups: 0

Topological Properties
Globularity: 0.0479099	Sterimol/B1: 2.53714	Sterimol/B2: 3.14943	Sterimol/B3: 4.78241
Sterimol/B4: 7.66227	Sterimol/L: 21.0049

Surface and Volume Properties
Accessible surface: 690.226	Positive charged surface: 449.523	Negative charged surface: 240.703	Volume: 377.125
Hydrophobic surface: 636.342	Hydrophilic surface: 53.884

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.