MMsINC Database Search


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

MMsINC code: MMs01139680

Type: Neutral
Formula: C₂₂H₂₄ClN₃O₃

SMILES:

Clc1ccccc1C(=O)N(C(C)C)CC(=O)N1CC(=O)N(C1)c1ccc(cc1)C

InChI:

InChI=1/C22H24ClN3O3/c1-15(2)25(22(29)18-6-4-5-7-19(18)23)13-20(27)24-12-21(28)26(14-24)17-10-8-16(3)9-11-17/h4-11,15H,12-14H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=296.3 kcal/mol

Physical Properties
Molecular Weight: 413.905 g/mol	logS: -5.09901	SlogP: 3.33192	Reactive groups: 0

Topological Properties
Globularity: 0.058237	Sterimol/B1: 3.23414	Sterimol/B2: 4.90046	Sterimol/B3: 5.41233
Sterimol/B4: 5.42443	Sterimol/L: 20.9666

Surface and Volume Properties
Accessible surface: 664.058	Positive charged surface: 377.303	Negative charged surface: 286.754	Volume: 384.5
Hydrophobic surface: 538.366	Hydrophilic surface: 125.692

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.