MMsINC Database Search


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

MMsINC code: MMs01572883

Type: Neutral
Formula: C₂₃H₂₅NO₄

SMILES:

O(C(=O)c1ccccc1C(=O)c1cc(ccc1C)C)CC(=O)N1CCCCC1

InChI:

InChI=1/C23H25NO4/c1-16-10-11-17(2)20(14-16)22(26)18-8-4-5-9-19(18)23(27)28-15-21(25)24-12-6-3-7-13-24/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.622 kcal/mol

Physical Properties
Molecular Weight: 379.456 g/mol	logS: -5.60799	SlogP: 3.70374	Reactive groups: 0

Topological Properties
Globularity: 0.144151	Sterimol/B1: 1.98769	Sterimol/B2: 4.05056	Sterimol/B3: 7.66097
Sterimol/B4: 8.24051	Sterimol/L: 15.361

Surface and Volume Properties
Accessible surface: 656.789	Positive charged surface: 432.364	Negative charged surface: 224.425	Volume: 374
Hydrophobic surface: 587.84	Hydrophilic surface: 68.949

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.