MMsINC Database Search


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

MMsINC code: MMs00988540

Type: Neutral
Formula: C₂₃H₂₄N₂O₃

SMILES:

O(C)c1cc2c(ncc(C(=O)c3ccccc3)c2N2CCCCC2)cc1OC

InChI:

InChI=1/C23H24N2O3/c1-27-20-13-17-19(14-21(20)28-2)24-15-18(22(17)25-11-7-4-8-12-25)23(26)16-9-5-3-6-10-16/h3,5-6,9-10,13-15H,4,7-8,11-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=197.802 kcal/mol

Physical Properties
Molecular Weight: 376.456 g/mol	logS: -4.82855	SlogP: 4.4733	Reactive groups: 0

Topological Properties
Globularity: 0.133443	Sterimol/B1: 2.24959	Sterimol/B2: 3.24202	Sterimol/B3: 5.36241
Sterimol/B4: 7.8075	Sterimol/L: 16.4893

Surface and Volume Properties
Accessible surface: 609.387	Positive charged surface: 447.194	Negative charged surface: 158.545	Volume: 366
Hydrophobic surface: 546.283	Hydrophilic surface: 63.104

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.