MMsINC Database Search


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MMsINC code: MMs03236525

Type: Neutral
Formula: C₂₄H₃₂N₂

SMILES:

n1cc(C)c(c2c1c1ncc(C)c(c1cc2)CCCCC)CCCCC

InChI:

InChI=1/C24H32N2/c1-5-7-9-11-19-17(3)15-25-23-21(19)13-14-22-20(12-10-8-6-2)18(4)16-26-24(22)23/h13-16H,5-12H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.674 kcal/mol

Physical Properties
Molecular Weight: 348.534 g/mol	logS: -7.9525	SlogP: 6.86518	Reactive groups: 0

Topological Properties
Globularity: 0.041033	Sterimol/B1: 2.19351	Sterimol/B2: 2.81321	Sterimol/B3: 3.44938
Sterimol/B4: 10.085	Sterimol/L: 16.204

Surface and Volume Properties
Accessible surface: 676.432	Positive charged surface: 493.942	Negative charged surface: 173.821	Volume: 387.5
Hydrophobic surface: 593.652	Hydrophilic surface: 82.78

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.