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MMsINC code: MMs01733478

Type: Neutral
Formula: C₁₆H₁₉NO

SMILES:

OC1CCN(CC1)Cc1c2c(ccc1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.3688 kcal/mol

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

Topological Properties
Globularity: 0.156435	Sterimol/B1: 2.86885	Sterimol/B2: 3.00112	Sterimol/B3: 4.42363
Sterimol/B4: 7.06774	Sterimol/L: 12.8556

Surface and Volume Properties
Accessible surface: 473.157	Positive charged surface: 315.226	Negative charged surface: 148.526	Volume: 253.5
Hydrophobic surface: 417.056	Hydrophilic surface: 56.101

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

MMs01733479
IBS-ZINC00239844