MMsINC Database Search


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MMsINC code: MMs00553882

Type: Neutral
Formula: C₂₆H₃₀N₂O₂

SMILES:

o1c2c(nc1-c1ccc(cc1)C(=O)N(C1CCCCC1)C1CCCCC1)cccc2

InChI:

InChI=1/C26H30N2O2/c29-26(28(21-9-3-1-4-10-21)22-11-5-2-6-12-22)20-17-15-19(16-18-20)25-27-23-13-7-8-14-24(23)30-25/h7-8,13-18,21-22H,1-6,9-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=286.75 kcal/mol

Physical Properties
Molecular Weight: 402.538 g/mol	logS: -7.68297	SlogP: 6.6024	Reactive groups: 0

Topological Properties
Globularity: 0.0665264	Sterimol/B1: 3.17372	Sterimol/B2: 4.46977	Sterimol/B3: 4.52821
Sterimol/B4: 6.443	Sterimol/L: 18.8605

Surface and Volume Properties
Accessible surface: 667.648	Positive charged surface: 448.861	Negative charged surface: 218.787	Volume: 403.875
Hydrophobic surface: 610.55	Hydrophilic surface: 57.098

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: 0

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Ions/Tautomers related molecules: no related molecules available.