MMsINC Database Search


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

MMsINC code: MMs01053384

Type: Neutral
Formula: C₂₄H₂₆N₂O₂

SMILES:

O(C)c1cc(ccc1)CNC(=O)c1ccc(-n2c3CCCCc3cc2C)cc1

InChI:

InChI=1/C24H26N2O2/c1-17-14-20-7-3-4-9-23(20)26(17)21-12-10-19(11-13-21)24(27)25-16-18-6-5-8-22(15-18)28-2/h5-6,8,10-15H,3-4,7,9,16H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.6306 kcal/mol

Physical Properties
Molecular Weight: 374.484 g/mol	logS: -4.91258	SlogP: 4.86946	Reactive groups: 0

Topological Properties
Globularity: 0.0557972	Sterimol/B1: 2.17113	Sterimol/B2: 2.76762	Sterimol/B3: 5.12233
Sterimol/B4: 8.26821	Sterimol/L: 18.7781

Surface and Volume Properties
Accessible surface: 692.222	Positive charged surface: 480.904	Negative charged surface: 211.318	Volume: 382.75
Hydrophobic surface: 626.736	Hydrophilic surface: 65.486

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.