MMsINC Database Search


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

MMsINC code: MMs01673924

Type: Neutral
Formula: C₂₄H₂₃NO₄

SMILES:

O(C)c1ccccc1C(NC(=O)COc1ccc(cc1)C(=O)c1ccccc1)C

InChI:

InChI=1/C24H23NO4/c1-17(21-10-6-7-11-22(21)28-2)25-23(26)16-29-20-14-12-19(13-15-20)24(27)18-8-4-3-5-9-18/h3-15,17H,16H2,1-2H3,(H,25,26)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.67 kcal/mol

Physical Properties
Molecular Weight: 389.451 g/mol	logS: -5.82613	SlogP: 4.2779	Reactive groups: 0

Topological Properties
Globularity: 0.0350394	Sterimol/B1: 2.04484	Sterimol/B2: 4.32959	Sterimol/B3: 5.39034
Sterimol/B4: 5.76736	Sterimol/L: 21.8622

Surface and Volume Properties
Accessible surface: 699.81	Positive charged surface: 421.044	Negative charged surface: 278.766	Volume: 382.125
Hydrophobic surface: 599.361	Hydrophilic surface: 100.449

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.