MMsINC Database Search


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MMsINC code: MMs02811631

Type: Neutral
Formula: C₂₆H₂₄N₂O₂

SMILES:

O=C(N1CCc2c(C1)cccc2)c1cc(ccc1)C(=O)N1CCc2c(C1)cccc2

InChI:

InChI=1/C26H24N2O2/c29-25(27-14-12-19-6-1-3-8-23(19)17-27)21-10-5-11-22(16-21)26(30)28-15-13-20-7-2-4-9-24(20)18-28/h1-11,16H,12-15,17-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.82 kcal/mol

Physical Properties
Molecular Weight: 396.49 g/mol	logS: -5.3687	SlogP: 4.61634	Reactive groups: 0

Topological Properties
Globularity: 0.135378	Sterimol/B1: 2.43847	Sterimol/B2: 4.34808	Sterimol/B3: 5.12251
Sterimol/B4: 9.16789	Sterimol/L: 15.3813

Surface and Volume Properties
Accessible surface: 661.122	Positive charged surface: 399.517	Negative charged surface: 261.605	Volume: 386.75
Hydrophobic surface: 597.563	Hydrophilic surface: 63.559

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: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.