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MMsINC code: MMs02846382

Type: Neutral
Formula: C₁₉H₁₉NO₃

SMILES:

O1CCN(CC1)Cc1cc2c(cc1OC)-c1c(cccc1)C2=O

InChI:

InChI=1/C19H19NO3/c1-22-18-11-16-14-4-2-3-5-15(14)19(21)17(16)10-13(18)12-20-6-8-23-9-7-20/h2-5,10-11H,6-9,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.905 kcal/mol

Physical Properties
Molecular Weight: 309.365 g/mol	logS: -4.45188	SlogP: 3.0052	Reactive groups: 0

Topological Properties
Globularity: 0.0788469	Sterimol/B1: 2.27559	Sterimol/B2: 3.55674	Sterimol/B3: 3.89273
Sterimol/B4: 8.4449	Sterimol/L: 16.29

Surface and Volume Properties
Accessible surface: 552.248	Positive charged surface: 400.879	Negative charged surface: 139.685	Volume: 300.625
Hydrophobic surface: 486.744	Hydrophilic surface: 65.504

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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

MMs02846383
PUBCHEM-ZINC02006254