MMsINC Database Search


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

MMsINC code: MMs00272699

Type: Neutral
Formula: C₂₄H₂₅NO

SMILES:

O=C(Nc1ccc(cc1)CCCC)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H25NO/c1-2-3-10-19-15-17-22(18-16-19)25-24(26)23(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-9,11-18,23H,2-3,10H2,1H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.874 kcal/mol

Physical Properties
Molecular Weight: 343.47 g/mol	logS: -7.07838	SlogP: 5.79977	Reactive groups: 0

Topological Properties
Globularity: 0.0629878	Sterimol/B1: 2.90191	Sterimol/B2: 4.91319	Sterimol/B3: 5.32455
Sterimol/B4: 6.34921	Sterimol/L: 17.9363

Surface and Volume Properties
Accessible surface: 668.013	Positive charged surface: 408.618	Negative charged surface: 259.396	Volume: 366.75
Hydrophobic surface: 618.456	Hydrophilic surface: 49.557

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