MMsINC Database Search


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

MMsINC code: MMs01612454

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O(CC(=O)NCCc1ccccc1)c1ccccc1C(=O)NCc1ccccc1

InChI:

InChI=1/C24H24N2O3/c27-23(25-16-15-19-9-3-1-4-10-19)18-29-22-14-8-7-13-21(22)24(28)26-17-20-11-5-2-6-12-20/h1-14H,15-18H2,(H,25,27)(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.884 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -5.35123	SlogP: 3.62067	Reactive groups: 0

Topological Properties
Globularity: 0.0317112	Sterimol/B1: 2.2782	Sterimol/B2: 3.61696	Sterimol/B3: 3.62204
Sterimol/B4: 9.48295	Sterimol/L: 22.0729

Surface and Volume Properties
Accessible surface: 734.426	Positive charged surface: 445.239	Negative charged surface: 289.187	Volume: 389.625
Hydrophobic surface: 643.421	Hydrophilic surface: 91.005

Pharmacophoric Properties
Hydrogen bond donors: 2	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.