MMsINC Database Search


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

MMsINC code: MMs01303132

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O=C(c1ccc(cc1)C(=O)Nc1ccc(N(CC)CC)cc1)c1ccccc1

InChI:

InChI=1/C24H24N2O2/c1-3-26(4-2)22-16-14-21(15-17-22)25-24(28)20-12-10-19(11-13-20)23(27)18-8-6-5-7-9-18/h5-17H,3-4H2,1-2H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.292 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -6.00951	SlogP: 5.0161	Reactive groups: 0

Topological Properties
Globularity: 0.0139337	Sterimol/B1: 2.20918	Sterimol/B2: 2.48302	Sterimol/B3: 3.84503
Sterimol/B4: 7.09773	Sterimol/L: 21.3333

Surface and Volume Properties
Accessible surface: 678.974	Positive charged surface: 399.675	Negative charged surface: 279.299	Volume: 380.25
Hydrophobic surface: 546.333	Hydrophilic surface: 132.641

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.