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MMsINC code: MMs02685536

Type: Neutral
Formula: C₁₉H₂₅N₃O₃

SMILES:

O(CC(O)CN1CCN(CC1)c1ncccc1)c1ccc(OC)cc1

InChI:

InChI=1/C19H25N3O3/c1-24-17-5-7-18(8-6-17)25-15-16(23)14-21-10-12-22(13-11-21)19-4-2-3-9-20-19/h2-9,16,23H,10-15H2,1H3/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=151.738 kcal/mol

Physical Properties
Molecular Weight: 343.427 g/mol	logS: -2.1047	SlogP: 1.6521	Reactive groups: 0

Topological Properties
Globularity: 0.0262053	Sterimol/B1: 2.51317	Sterimol/B2: 3.40598	Sterimol/B3: 4.33265
Sterimol/B4: 5.04241	Sterimol/L: 22.2599

Surface and Volume Properties
Accessible surface: 640.888	Positive charged surface: 488.014	Negative charged surface: 152.874	Volume: 341.125
Hydrophobic surface: 562.35	Hydrophilic surface: 78.538

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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

MMs02685537
PUBCHEM-ZINC00448396