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MMsINC code: MMs02402632

Type: Neutral
Formula: C₁₉H₂₃NO

SMILES:

OCCN(CC1C(C1c1ccccc1)c1ccccc1)C

InChI:

InChI=1/C19H23NO/c1-20(12-13-21)14-17-18(15-8-4-2-5-9-15)19(17)16-10-6-3-7-11-16/h2-11,17-19,21H,12-14H2,1H3/t18-,19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.5717 kcal/mol

Physical Properties
Molecular Weight: 281.399 g/mol	logS: -2.91892	SlogP: 3.1079	Reactive groups: 0

Topological Properties
Globularity: 0.184373	Sterimol/B1: 2.5156	Sterimol/B2: 5.20611	Sterimol/B3: 5.29877
Sterimol/B4: 7.2447	Sterimol/L: 14.2417

Surface and Volume Properties
Accessible surface: 558.356	Positive charged surface: 372.371	Negative charged surface: 185.985	Volume: 304.625
Hydrophobic surface: 502.516	Hydrophilic surface: 55.84

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

MMs02402633
NCID-ZINC04771438