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MMsINC code: MMs01416698

Type: Neutral
Formula: C₁₉H₂₅NO₂

SMILES:

O(CC(O)CNC(C)c1ccccc1C)c1cc(ccc1)C

InChI:

InChI=1/C19H25NO2/c1-14-7-6-9-18(11-14)22-13-17(21)12-20-16(3)19-10-5-4-8-15(19)2/h4-11,16-17,20-21H,12-13H2,1-3H3/t16-,17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.4541 kcal/mol

Physical Properties
Molecular Weight: 299.414 g/mol	logS: -4.04261	SlogP: 3.48944	Reactive groups: 0

Topological Properties
Globularity: 0.0340585	Sterimol/B1: 3.06762	Sterimol/B2: 3.70854	Sterimol/B3: 3.91102
Sterimol/B4: 5.51565	Sterimol/L: 19.0149

Surface and Volume Properties
Accessible surface: 605.151	Positive charged surface: 376.405	Negative charged surface: 228.746	Volume: 320.25
Hydrophobic surface: 530.036	Hydrophilic surface: 75.115

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

MMs01416699
ENAMINE-ZINC03395555