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MMsINC code: MMs02822517

Type: Neutral
Formula: C₁₉H₂₃NO₂

SMILES:

O(CC)c1ccccc1C(=O)NC(CCC)c1ccccc1

InChI:

InChI=1/C19H23NO2/c1-3-10-17(15-11-6-5-7-12-15)20-19(21)16-13-8-9-14-18(16)22-4-2/h5-9,11-14,17H,3-4,10H2,1-2H3,(H,20,21)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.5727 kcal/mol

Physical Properties
Molecular Weight: 297.398 g/mol	logS: -4.7207	SlogP: 4.452	Reactive groups: 0

Topological Properties
Globularity: 0.138783	Sterimol/B1: 2.17176	Sterimol/B2: 2.42004	Sterimol/B3: 6.1548
Sterimol/B4: 9.1311	Sterimol/L: 15.4382

Surface and Volume Properties
Accessible surface: 589.565	Positive charged surface: 378.535	Negative charged surface: 211.031	Volume: 312.5
Hydrophobic surface: 524.545	Hydrophilic surface: 65.02

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.