MMsINC Database Search


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

MMsINC code: MMs01952654

Type: Neutral
Formula: C₂₅H₂₄N₂O₂

SMILES:

O=C1N(CC(=O)N(C1c1ccc(cc1)C)c1ccccc1)c1cccc(C)c1C

InChI:

InChI=1/C25H24N2O2/c1-17-12-14-20(15-13-17)24-25(29)26(22-11-7-8-18(2)19(22)3)16-23(28)27(24)21-9-5-4-6-10-21/h4-15,24H,16H2,1-3H3/t24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=181.845 kcal/mol

Physical Properties
Molecular Weight: 384.479 g/mol	logS: -6.39647	SlogP: 4.82846	Reactive groups: 0

Topological Properties
Globularity: 0.106308	Sterimol/B1: 2.12632	Sterimol/B2: 3.93084	Sterimol/B3: 4.14546
Sterimol/B4: 10.5309	Sterimol/L: 16.054

Surface and Volume Properties
Accessible surface: 646.384	Positive charged surface: 376.201	Negative charged surface: 270.183	Volume: 385.75
Hydrophobic surface: 585.838	Hydrophilic surface: 60.546

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.