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MMsINC code: MMs03524795

Type: Neutral
Formula: C₁₆H₁₉NO

SMILES:

O(C(CCN)c1ccccc1)c1ccccc1C

InChI:

InChI=1/C16H19NO/c1-13-7-5-6-10-15(13)18-16(11-12-17)14-8-3-2-4-9-14/h2-10,16H,11-12,17H2,1H3/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.2393 kcal/mol

Physical Properties
Molecular Weight: 241.334 g/mol	logS: -3.25676	SlogP: 3.55942	Reactive groups: 0

Topological Properties
Globularity: 0.220035	Sterimol/B1: 2.35006	Sterimol/B2: 2.42459	Sterimol/B3: 5.25044
Sterimol/B4: 8.16664	Sterimol/L: 13.5539

Surface and Volume Properties
Accessible surface: 493.626	Positive charged surface: 312.106	Negative charged surface: 181.52	Volume: 260.25
Hydrophobic surface: 425.961	Hydrophilic surface: 67.665

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

MMs03524796
PUBCHEM-ZINC06071931