MMsINC Database Search


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

MMsINC code: MMs01043447

Type: Neutral
Formula: C₂₄H₂₆N₂O₃

SMILES:

O(C)c1cc2c(ncc(C(=O)c3ccc(cc3)C)c2N2CCCCC2)cc1OC

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=202.537 kcal/mol

Physical Properties
Molecular Weight: 390.483 g/mol	logS: -5.30247	SlogP: 4.78172	Reactive groups: 0

Topological Properties
Globularity: 0.145167	Sterimol/B1: 2.5021	Sterimol/B2: 2.63516	Sterimol/B3: 6.58963
Sterimol/B4: 7.51359	Sterimol/L: 16.9574

Surface and Volume Properties
Accessible surface: 637.573	Positive charged surface: 472.229	Negative charged surface: 161.273	Volume: 382.375
Hydrophobic surface: 573	Hydrophilic surface: 64.573

Pharmacophoric Properties
Hydrogen bond donors: 0	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.