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MMsINC code: MMs03525263

Type: Ionized
Formula: C₁₁H₁₉N₂O+

SMILES:

OC1(CC[NH+](CC1)C)c1n(ccc1)C

InChI:

InChI=1/C11H18N2O/c1-12-8-5-11(14,6-9-12)10-4-3-7-13(10)2/h3-4,7,14H,5-6,8-9H2,1-2H3/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.1006 kcal/mol

Physical Properties
Molecular Weight: 195.286 g/mol	logS: -0.07193	SlogP: 0.1919	Reactive groups: 0

Topological Properties
Globularity: 0.151282	Sterimol/B1: 2.07987	Sterimol/B2: 3.33296	Sterimol/B3: 3.94851
Sterimol/B4: 6.05484	Sterimol/L: 12.4052

Surface and Volume Properties
Accessible surface: 404.462	Positive charged surface: 326.699	Negative charged surface: 77.7626	Volume: 210.25
Hydrophobic surface: 313.747	Hydrophilic surface: 90.715

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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Parent related molecule:

MMs03525262
PUBCHEM-ZINC06072426