MMsINC Database Search


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

MMsINC code: MMs01572877

Type: Neutral
Formula: C₂₅H₂₉NO₄

SMILES:

O(C(=O)c1ccccc1C(=O)c1cc(ccc1C)C)CC(=O)N(C)C1CCCCC1

InChI:

InChI=1/C25H29NO4/c1-17-13-14-18(2)22(15-17)24(28)20-11-7-8-12-21(20)25(29)30-16-23(27)26(3)19-9-5-4-6-10-19/h7-8,11-15,19H,4-6,9-10,16H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.179 kcal/mol

Physical Properties
Molecular Weight: 407.51 g/mol	logS: -6.32498	SlogP: 4.48234	Reactive groups: 0

Topological Properties
Globularity: 0.10896	Sterimol/B1: 2.15285	Sterimol/B2: 3.49155	Sterimol/B3: 7.64529
Sterimol/B4: 8.54444	Sterimol/L: 17.3845

Surface and Volume Properties
Accessible surface: 710.109	Positive charged surface: 474.264	Negative charged surface: 235.845	Volume: 410.125
Hydrophobic surface: 643.279	Hydrophilic surface: 66.83

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.