MMsINC Database Search


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

MMsINC code: MMs01021542

Type: Neutral
Formula: C₂₄H₂₆N₂O₃

SMILES:

O(CC)c1ccc(NC(=O)C(=O)c2cc(n(c2C)-c2cccc(C)c2C)C)cc1

InChI:

InChI=1/C24H26N2O3/c1-6-29-20-12-10-19(11-13-20)25-24(28)23(27)21-14-16(3)26(18(21)5)22-9-7-8-15(2)17(22)4/h7-14H,6H2,1-5H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.746 kcal/mol

Physical Properties
Molecular Weight: 390.483 g/mol	logS: -5.48607	SlogP: 4.93108	Reactive groups: 0

Topological Properties
Globularity: 0.0423197	Sterimol/B1: 3.69781	Sterimol/B2: 4.12367	Sterimol/B3: 4.25378
Sterimol/B4: 5.63371	Sterimol/L: 22.2643

Surface and Volume Properties
Accessible surface: 700.393	Positive charged surface: 442.089	Negative charged surface: 258.304	Volume: 394.375
Hydrophobic surface: 599.803	Hydrophilic surface: 100.59

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.