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MMsINC code: MMs00276511

Type: Neutral
Formula: C₁₉H₁₉NO₄

SMILES:

O(CCCN1c2c(cc(cc2)C)C(=O)C1=O)c1ccccc1OC

InChI:

InChI=1/C19H19NO4/c1-13-8-9-15-14(12-13)18(21)19(22)20(15)10-5-11-24-17-7-4-3-6-16(17)23-2/h3-4,6-9,12H,5,10-11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.5612 kcal/mol

Physical Properties
Molecular Weight: 325.364 g/mol	logS: -4.50552	SlogP: 3.00202	Reactive groups: 0

Topological Properties
Globularity: 0.0866481	Sterimol/B1: 2.76488	Sterimol/B2: 2.92488	Sterimol/B3: 5.5534
Sterimol/B4: 6.50082	Sterimol/L: 17.5101

Surface and Volume Properties
Accessible surface: 603.344	Positive charged surface: 382.436	Negative charged surface: 220.908	Volume: 314.75
Hydrophobic surface: 497.78	Hydrophilic surface: 105.564

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: no related molecules available.