MMsINC Database Search


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

MMsINC code: MMs00905320

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

o1c2cc(n(c2cc1C)Cc1ccc(cc1)C)C(=O)Nc1ccc(OCC)cc1

InChI:

InChI=1/C24H24N2O3/c1-4-28-20-11-9-19(10-12-20)25-24(27)22-14-23-21(13-17(3)29-23)26(22)15-18-7-5-16(2)6-8-18/h5-14H,4,15H2,1-3H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.3345 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -6.19195	SlogP: 5.81684	Reactive groups: 0

Topological Properties
Globularity: 0.0386424	Sterimol/B1: 3.61094	Sterimol/B2: 3.84168	Sterimol/B3: 6.42943
Sterimol/B4: 6.57036	Sterimol/L: 18.9987

Surface and Volume Properties
Accessible surface: 689.41	Positive charged surface: 420.361	Negative charged surface: 269.05	Volume: 387
Hydrophobic surface: 605.02	Hydrophilic surface: 84.39

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.