MMsINC Database Search


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

MMsINC code: MMs00701871

Type: Neutral
Formula: C₂₆H₂₄N₂O₂

SMILES:

O(CC)c1ccc(cc1)-c1nc2c(cccc2)c(c1)C(=O)Nc1cc(ccc1)CC

InChI:

InChI=1/C26H24N2O2/c1-3-18-8-7-9-20(16-18)27-26(29)23-17-25(28-24-11-6-5-10-22(23)24)19-12-14-21(15-13-19)30-4-2/h5-17H,3-4H2,1-2H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.02 kcal/mol

Physical Properties
Molecular Weight: 396.49 g/mol	logS: -7.70532	SlogP: 6.11517	Reactive groups: 0

Topological Properties
Globularity: 0.0293617	Sterimol/B1: 2.06002	Sterimol/B2: 2.50785	Sterimol/B3: 4.97686
Sterimol/B4: 12.387	Sterimol/L: 17.9591

Surface and Volume Properties
Accessible surface: 716.079	Positive charged surface: 427.306	Negative charged surface: 277.922	Volume: 398.375
Hydrophobic surface: 615.083	Hydrophilic surface: 100.996

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.