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MMsINC code: MMs00733150

Type: Neutral
Formula: C₁₉H₂₃NO₂

SMILES:

O(C(C(=O)NCCCc1ccccc1)C)c1ccccc1C

InChI:

InChI=1/C19H23NO2/c1-15-9-6-7-13-18(15)22-16(2)19(21)20-14-8-12-17-10-4-3-5-11-17/h3-7,9-11,13,16H,8,12,14H2,1-2H3,(H,20,21)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.5254 kcal/mol

Physical Properties
Molecular Weight: 297.398 g/mol	logS: -4.12665	SlogP: 3.51129	Reactive groups: 0

Topological Properties
Globularity: 0.0481085	Sterimol/B1: 1.969	Sterimol/B2: 3.57854	Sterimol/B3: 4.3061
Sterimol/B4: 6.83283	Sterimol/L: 19.1096

Surface and Volume Properties
Accessible surface: 604.391	Positive charged surface: 377.416	Negative charged surface: 226.975	Volume: 313.875
Hydrophobic surface: 541.393	Hydrophilic surface: 62.998

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: no related molecules available.