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MMsINC code: MMs01433819

Type: Neutral
Formula: C₁₉H₂₁NO₃

SMILES:

O(C(=O)c1ccc(cc1C)C)CC(=O)NC(C)c1ccccc1

InChI:

InChI=1/C19H21NO3/c1-13-9-10-17(14(2)11-13)19(22)23-12-18(21)20-15(3)16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H,20,21)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.6281 kcal/mol

Physical Properties
Molecular Weight: 311.381 g/mol	logS: -4.98213	SlogP: 3.43314	Reactive groups: 0

Topological Properties
Globularity: 0.0325122	Sterimol/B1: 2.79388	Sterimol/B2: 3.20992	Sterimol/B3: 4.29338
Sterimol/B4: 5.98224	Sterimol/L: 19.3391

Surface and Volume Properties
Accessible surface: 603.495	Positive charged surface: 368.075	Negative charged surface: 235.419	Volume: 317.375
Hydrophobic surface: 518.158	Hydrophilic surface: 85.337

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: no related molecules available.