MMsINC Database Search


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

MMsINC code: MMs00643869

Type: Neutral
Formula: C₂₄H₂₄N₂O

SMILES:

O=C(N1c2c(cccc2)C(Nc2ccccc2)CC1C)Cc1ccccc1

InChI:

InChI=1/C24H24N2O/c1-18-16-22(25-20-12-6-3-7-13-20)21-14-8-9-15-23(21)26(18)24(27)17-19-10-4-2-5-11-19/h2-15,18,22,25H,16-17H2,1H3/t18-,22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.195 kcal/mol

Physical Properties
Molecular Weight: 356.469 g/mol	logS: -5.55253	SlogP: 5.30317	Reactive groups: 0

Topological Properties
Globularity: 0.080225	Sterimol/B1: 2.08663	Sterimol/B2: 2.59949	Sterimol/B3: 5.77928
Sterimol/B4: 7.42077	Sterimol/L: 18.9923

Surface and Volume Properties
Accessible surface: 626.543	Positive charged surface: 368.491	Negative charged surface: 258.051	Volume: 365.375
Hydrophobic surface: 577.212	Hydrophilic surface: 49.331

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.