MMsINC Database Search


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

MMsINC code: MMs00651360

Type: Neutral
Formula: C₂₃H₂₄N₂O₃

SMILES:

O(C)c1cc(ccc1OC)-c1nc2c(cccc2)c(c1)C(=O)NC1CCCC1

InChI:

InChI=1/C23H24N2O3/c1-27-21-12-11-15(13-22(21)28-2)20-14-18(17-9-5-6-10-19(17)25-20)23(26)24-16-7-3-4-8-16/h5-6,9-14,16H,3-4,7-8H2,1-2H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.426 kcal/mol

Physical Properties
Molecular Weight: 376.456 g/mol	logS: -5.57141	SlogP: 4.5914	Reactive groups: 0

Topological Properties
Globularity: 0.0315016	Sterimol/B1: 2.13283	Sterimol/B2: 3.43146	Sterimol/B3: 3.57594
Sterimol/B4: 12.359	Sterimol/L: 16.454

Surface and Volume Properties
Accessible surface: 677.653	Positive charged surface: 468.263	Negative charged surface: 198.017	Volume: 370.375
Hydrophobic surface: 615.321	Hydrophilic surface: 62.332

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.