MMsINC Database Search


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

MMsINC code: MMs01194992

Type: Neutral
Formula: C₂₅H₃₂N₂O₂

SMILES:

O(CC)c1c2cc(n(c2ccc1)Cc1ccc(cc1)C(C)(C)C)C(=O)NC(C)C

InChI:

InChI=1/C25H32N2O2/c1-7-29-23-10-8-9-21-20(23)15-22(24(28)26-17(2)3)27(21)16-18-11-13-19(14-12-18)25(4,5)6/h8-15,17H,7,16H2,1-6H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.525 kcal/mol

Physical Properties
Molecular Weight: 392.543 g/mol	logS: -6.68733	SlogP: 5.7904	Reactive groups: 0

Topological Properties
Globularity: 0.140626	Sterimol/B1: 2.46172	Sterimol/B2: 4.94932	Sterimol/B3: 6.19522
Sterimol/B4: 7.83461	Sterimol/L: 17.0862

Surface and Volume Properties
Accessible surface: 697.328	Positive charged surface: 448.608	Negative charged surface: 242.922	Volume: 415.75
Hydrophobic surface: 533.959	Hydrophilic surface: 163.369

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.