MMsINC Database Search


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

MMsINC code: MMs01677367

Type: Neutral
Formula: C₂₃H₂₄N₂O₃

SMILES:

O(C)c1ccccc1CCNC(=O)CNC(=O)Cc1c2c(ccc1)cccc2

InChI:

InChI=1/C23H24N2O3/c1-28-21-12-5-3-8-18(21)13-14-24-23(27)16-25-22(26)15-19-10-6-9-17-7-2-4-11-20(17)19/h2-12H,13-16H2,1H3,(H,24,27)(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.4772 kcal/mol

Physical Properties
Molecular Weight: 376.456 g/mol	logS: -5.52268	SlogP: 2.86594	Reactive groups: 0

Topological Properties
Globularity: 0.023448	Sterimol/B1: 2.33457	Sterimol/B2: 3.28567	Sterimol/B3: 3.4422
Sterimol/B4: 7.53649	Sterimol/L: 20.987

Surface and Volume Properties
Accessible surface: 705.069	Positive charged surface: 453.416	Negative charged surface: 242.894	Volume: 375.875
Hydrophobic surface: 607.469	Hydrophilic surface: 97.6

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.