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MMsINC code: MMs02304385

Type: Neutral
Formula: C₁₆H₁₉NO

SMILES:

OCC(N(Cc1ccccc1)C)c1ccccc1

InChI:

InChI=1/C16H19NO/c1-17(12-14-8-4-2-5-9-14)16(13-18)15-10-6-3-7-11-15/h2-11,16,18H,12-13H2,1H3/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.8938 kcal/mol

Physical Properties
Molecular Weight: 241.334 g/mol	logS: -2.82169	SlogP: 3.2139	Reactive groups: 0

Topological Properties
Globularity: 0.160696	Sterimol/B1: 2.39915	Sterimol/B2: 2.94081	Sterimol/B3: 4.93701
Sterimol/B4: 5.86068	Sterimol/L: 14.2022

Surface and Volume Properties
Accessible surface: 477.661	Positive charged surface: 325.386	Negative charged surface: 152.274	Volume: 258.375
Hydrophobic surface: 435.067	Hydrophilic surface: 42.594

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

MMs02304386
NCID-ZINC01668287