MMsINC Database Search


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

MMsINC code: MMs01825279

Type: Neutral
Formula: C₂₄H₂₄N₂O₄

SMILES:

O(C)c1cc2c(NC(N(C2=O)c2ccc(cc2)C)c2ccc(OC)cc2)cc1OC

InChI:

InChI=1/C24H24N2O4/c1-15-5-9-17(10-6-15)26-23(16-7-11-18(28-2)12-8-16)25-20-14-22(30-4)21(29-3)13-19(20)24(26)27/h5-14,23,25H,1-4H3/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=146.654 kcal/mol

Physical Properties
Molecular Weight: 404.466 g/mol	logS: -5.46787	SlogP: 4.88742	Reactive groups: 0

Topological Properties
Globularity: 0.221534	Sterimol/B1: 2.76899	Sterimol/B2: 4.12615	Sterimol/B3: 5.29979
Sterimol/B4: 10.1992	Sterimol/L: 16.8009

Surface and Volume Properties
Accessible surface: 676.927	Positive charged surface: 488.979	Negative charged surface: 187.948	Volume: 390.875
Hydrophobic surface: 603.817	Hydrophilic surface: 73.11

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.