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MMsINC code: MMs02855036

Type: Neutral
Formula: C₁₈H₂₁NO₂

SMILES:

OC(C(=O)CCN(C)C)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C18H21NO2/c1-19(2)14-13-17(20)18(21,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,21H,13-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.2785 kcal/mol

Physical Properties
Molecular Weight: 283.371 g/mol	logS: -3.03496	SlogP: 2.7548	Reactive groups: 1

Topological Properties
Globularity: 0.187774	Sterimol/B1: 2.80429	Sterimol/B2: 4.62614	Sterimol/B3: 5.16575
Sterimol/B4: 7.00835	Sterimol/L: 13.5719

Surface and Volume Properties
Accessible surface: 538.603	Positive charged surface: 367.153	Negative charged surface: 171.45	Volume: 295.375
Hydrophobic surface: 500.714	Hydrophilic surface: 37.889

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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

MMs02855037
PUBCHEM-ZINC02019406