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MMsINC code: MMs02849481

Type: Neutral
Formula: C₁₇H₁₇NO₂

SMILES:

o1c2c(cc(OC)cc2)c(CCN)c1-c1ccccc1

InChI:

InChI=1/C17H17NO2/c1-19-13-7-8-16-15(11-13)14(9-10-18)17(20-16)12-5-3-2-4-6-12/h2-8,11H,9-10,18H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.788 kcal/mol

Physical Properties
Molecular Weight: 267.328 g/mol	logS: -5.00216	SlogP: 3.60957	Reactive groups: 0

Topological Properties
Globularity: 0.0638617	Sterimol/B1: 3.22654	Sterimol/B2: 3.39243	Sterimol/B3: 4.66736
Sterimol/B4: 5.55749	Sterimol/L: 15.9762

Surface and Volume Properties
Accessible surface: 516.681	Positive charged surface: 355.632	Negative charged surface: 156.165	Volume: 271
Hydrophobic surface: 431.971	Hydrophilic surface: 84.71

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

MMs02849482
PUBCHEM-ZINC02011439