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MMsINC code: MMs00755030

Type: Neutral
Formula: C₁₈H₂₃NO₂

SMILES:

O(CC(O)CN1CCCCC1)c1cc2c(cc1)cccc2

InChI:

InChI=1/C18H23NO2/c20-17(13-19-10-4-1-5-11-19)14-21-18-9-8-15-6-2-3-7-16(15)12-18/h2-3,6-9,12,17,20H,1,4-5,10-11,13-14H2/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.6702 kcal/mol

Physical Properties
Molecular Weight: 285.387 g/mol	logS: -3.76264	SlogP: 3.0654	Reactive groups: 0

Topological Properties
Globularity: 0.0303321	Sterimol/B1: 3.06092	Sterimol/B2: 3.90892	Sterimol/B3: 3.92182
Sterimol/B4: 4.28116	Sterimol/L: 18.7076

Surface and Volume Properties
Accessible surface: 562.685	Positive charged surface: 386.949	Negative charged surface: 165.473	Volume: 296.375
Hydrophobic surface: 514.184	Hydrophilic surface: 48.501

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
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

MMs00755031
CHEMBRIDGE-ZINC03864554