MMsINC Database Search


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MMsINC code: MMs01137841

Type: Neutral
Formula: C₂₄H₂₆N₂O₂

SMILES:

O(CC)c1ccccc1-n1c(cc(C(=O)N2CCCC2)c1C)-c1ccccc1

InChI:

InChI=1/C24H26N2O2/c1-3-28-23-14-8-7-13-21(23)26-18(2)20(24(27)25-15-9-10-16-25)17-22(26)19-11-5-4-6-12-19/h4-8,11-14,17H,3,9-10,15-16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.758 kcal/mol

Physical Properties
Molecular Weight: 374.484 g/mol	logS: -5.22465	SlogP: 5.08742	Reactive groups: 0

Topological Properties
Globularity: 0.199988	Sterimol/B1: 2.12011	Sterimol/B2: 2.90731	Sterimol/B3: 8.6947
Sterimol/B4: 8.7996	Sterimol/L: 15.702

Surface and Volume Properties
Accessible surface: 658.466	Positive charged surface: 436.24	Negative charged surface: 222.227	Volume: 383.125
Hydrophobic surface: 599.744	Hydrophilic surface: 58.722

Pharmacophoric Properties
Hydrogen bond donors: 0	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

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Ions/Tautomers related molecules: no related molecules available.