MMsINC Database Search


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MMsINC code: MMs02426748

Type: Neutral
Formula: C₁₀H₁₇N₂+

SMILES:

[N+](#N)C1C(C2CC1(CC2)C)(C)C

InChI:

InChI=1/C10H17N2/c1-9(2)7-4-5-10(3,6-7)8(9)12-11/h7-8H,4-6H2,1-3H3/q+1/t7-,8-,10+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.9124 kcal/mol

Physical Properties
Molecular Weight: 165.26 g/mol	logS: -1.77782	SlogP: 3.05428	Reactive groups: 0

Topological Properties
Globularity: 0.501921	Sterimol/B1: 2.28432	Sterimol/B2: 3.50081	Sterimol/B3: 5.04498
Sterimol/B4: 5.23347	Sterimol/L: 9.17818

Surface and Volume Properties
Accessible surface: 354.32	Positive charged surface: 231.147	Negative charged surface: 123.173	Volume: 180.5
Hydrophobic surface: 257.745	Hydrophilic surface: 96.575

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 1
Chiral centers: 3

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.