MMsINC Database Search


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

MMsINC code: MMs00147419

Type: Neutral
Formula: C₂₄H₂₁NO₄

SMILES:

O(C(=O)c1cc(NC(=O)c2ccc(cc2)C)ccc1)C(C(=O)c1ccccc1)C

InChI:

InChI=1/C24H21NO4/c1-16-11-13-19(14-12-16)23(27)25-21-10-6-9-20(15-21)24(28)29-17(2)22(26)18-7-4-3-5-8-18/h3-15,17H,1-2H3,(H,25,27)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.353 kcal/mol

Physical Properties
Molecular Weight: 387.435 g/mol	logS: -6.63698	SlogP: 4.67552	Reactive groups: 0

Topological Properties
Globularity: 0.0276192	Sterimol/B1: 3.1291	Sterimol/B2: 3.42275	Sterimol/B3: 4.07483
Sterimol/B4: 8.22394	Sterimol/L: 21.7687

Surface and Volume Properties
Accessible surface: 700.955	Positive charged surface: 374.174	Negative charged surface: 326.781	Volume: 376.75
Hydrophobic surface: 581.792	Hydrophilic surface: 119.163

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.