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MMsINC code: MMs02302516

Type: Neutral
Formula: C₁₉H₂₅NO₂

SMILES:

O(C)c1ccc(cc1)C(NC(CC)CO)Cc1ccccc1

InChI:

InChI=1/C19H25NO2/c1-3-17(14-21)20-19(13-15-7-5-4-6-8-15)16-9-11-18(22-2)12-10-16/h4-12,17,19-21H,3,13-14H2,1-2H3/t17-,19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.0547 kcal/mol

Physical Properties
Molecular Weight: 299.414 g/mol	logS: -3.33157	SlogP: 3.43497	Reactive groups: 0

Topological Properties
Globularity: 0.136645	Sterimol/B1: 2.48293	Sterimol/B2: 3.1658	Sterimol/B3: 4.53263
Sterimol/B4: 7.58168	Sterimol/L: 16.3065

Surface and Volume Properties
Accessible surface: 559.403	Positive charged surface: 399.332	Negative charged surface: 160.071	Volume: 317.75
Hydrophobic surface: 498.701	Hydrophilic surface: 60.702

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02302517
NCID-ZINC01666321