MMsINC Database Search


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MMsINC code: MMs01669251

Type: Neutral
Formula: C₁₈H₂₄NO+

SMILES:

Oc1ccc[n+](c1)Cc1c(cc(cc1C)C(C)(C)C)C

InChI:

InChI=1/C18H23NO/c1-13-9-15(18(3,4)5)10-14(2)17(13)12-19-8-6-7-16(20)11-19/h6-11H,12H2,1-5H3/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.89 kcal/mol

Physical Properties
Molecular Weight: 270.396 g/mol	logS: -4.36973	SlogP: 3.90874	Reactive groups: 0

Topological Properties
Globularity: 0.150537	Sterimol/B1: 2.12331	Sterimol/B2: 2.91712	Sterimol/B3: 4.84982
Sterimol/B4: 7.28078	Sterimol/L: 13.8623

Surface and Volume Properties
Accessible surface: 522.027	Positive charged surface: 352.045	Negative charged surface: 169.982	Volume: 292.75
Hydrophobic surface: 387.89	Hydrophilic surface: 134.137

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