MMsINC Database Search


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MMsINC code: MMs02862823

Type: Neutral
Formula: C₁₄H₂₄NO+

SMILES:

O(C(C[N+](C)(C)C)C)c1c(cccc1C)C

InChI:

InChI=1/C14H24NO/c1-11-8-7-9-12(2)14(11)16-13(3)10-15(4,5)6/h7-9,13H,10H2,1-6H3/q+1/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.8571 kcal/mol

Physical Properties
Molecular Weight: 222.352 g/mol	logS: -1.85092	SlogP: 2.77694	Reactive groups: 0

Topological Properties
Globularity: 0.165399	Sterimol/B1: 2.12759	Sterimol/B2: 3.21309	Sterimol/B3: 4.87329
Sterimol/B4: 7.23699	Sterimol/L: 12.937

Surface and Volume Properties
Accessible surface: 445.158	Positive charged surface: 340.822	Negative charged surface: 104.336	Volume: 253.875
Hydrophobic surface: 378.167	Hydrophilic surface: 66.991

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

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.