MMsINC Database Search


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

MMsINC code: MMs02764481

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O(C)c1cc(C)c(NC(=O)c2cc(nc3c2cccc3)-c2ccccc2)cc1

InChI:

InChI=1/C24H20N2O2/c1-16-14-18(28-2)12-13-21(16)26-24(27)20-15-23(17-8-4-3-5-9-17)25-22-11-7-6-10-19(20)22/h3-15H,1-2H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.234 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -6.54944	SlogP: 5.47112	Reactive groups: 0

Topological Properties
Globularity: 0.0234804	Sterimol/B1: 2.26375	Sterimol/B2: 3.25954	Sterimol/B3: 4.49276
Sterimol/B4: 9.92064	Sterimol/L: 18.6399

Surface and Volume Properties
Accessible surface: 640.984	Positive charged surface: 376.197	Negative charged surface: 254.817	Volume: 363.125
Hydrophobic surface: 591.185	Hydrophilic surface: 49.799

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.