MMsINC Database Search


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MMsINC code: MMs00855544

Type: Neutral
Formula: C₁₇H₂₄N₂

SMILES:

n1c2cc(C)c(cc2n(c1)CCC1CCCCC1)C

InChI:

InChI=1/C17H24N2/c1-13-10-16-17(11-14(13)2)19(12-18-16)9-8-15-6-4-3-5-7-15/h10-12,15H,3-9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.3179 kcal/mol

Physical Properties
Molecular Weight: 256.393 g/mol	logS: -5.64947	SlogP: 4.88994	Reactive groups: 0

Topological Properties
Globularity: 0.0644855	Sterimol/B1: 2.9083	Sterimol/B2: 3.70149	Sterimol/B3: 3.70449
Sterimol/B4: 6.13364	Sterimol/L: 15.4217

Surface and Volume Properties
Accessible surface: 522.582	Positive charged surface: 380.505	Negative charged surface: 142.077	Volume: 280.625
Hydrophobic surface: 492.785	Hydrophilic surface: 29.797

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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

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Ions/Tautomers related molecules: no related molecules available.