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MMsINC code: MMs02644212

Type: Neutral
Formula: C₁₆H₁₉NO

SMILES:

OC1CCN(CC1)Cc1cc2c(cc1)cccc2

InChI:

InChI=1/C16H19NO/c18-16-7-9-17(10-8-16)12-13-5-6-14-3-1-2-4-15(14)11-13/h1-6,11,16,18H,7-10,12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.8949 kcal/mol

Physical Properties
Molecular Weight: 241.334 g/mol	logS: -3.48405	SlogP: 3.0629	Reactive groups: 0

Topological Properties
Globularity: 0.0967204	Sterimol/B1: 2.68103	Sterimol/B2: 3.26221	Sterimol/B3: 4.169
Sterimol/B4: 5.04468	Sterimol/L: 14.2911

Surface and Volume Properties
Accessible surface: 485.339	Positive charged surface: 323.396	Negative charged surface: 151.967	Volume: 253
Hydrophobic surface: 429.165	Hydrophilic surface: 56.174

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

MMs02644213
PUBCHEM-ZINC00239465