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MMsINC code: MMs02264156

Type: Neutral
Formula: C₁₉H₂₃NO₂

SMILES:

O1CCN(CC1)C(C(OC)c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H23NO2/c1-21-19(17-10-6-3-7-11-17)18(16-8-4-2-5-9-16)20-12-14-22-15-13-20/h2-11,18-19H,12-15H2,1H3/t18-,19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.911 kcal/mol

Physical Properties
Molecular Weight: 297.398 g/mol	logS: -3.45835	SlogP: 3.6386	Reactive groups: 0

Topological Properties
Globularity: 0.630309	Sterimol/B1: 2.16974	Sterimol/B2: 3.67795	Sterimol/B3: 6.82608
Sterimol/B4: 8.23251	Sterimol/L: 11.6928

Surface and Volume Properties
Accessible surface: 516.94	Positive charged surface: 383.525	Negative charged surface: 133.414	Volume: 308.375
Hydrophobic surface: 501.563	Hydrophilic surface: 15.377

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs02264157
NCID-ZINC01614244