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MMsINC code: MMs01587968

Type: Neutral
Formula: C₂₂H₁₉NO₄

SMILES:

O(C)c1ccc(cc1)C(OCC(=O)Nc1ccccc1-c1ccccc1)=O

InChI:

InChI=1/C22H19NO4/c1-26-18-13-11-17(12-14-18)22(25)27-15-21(24)23-20-10-6-5-9-19(20)16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.252 kcal/mol

Physical Properties
Molecular Weight: 361.397 g/mol	logS: -6.2398	SlogP: 4.1577	Reactive groups: 0

Topological Properties
Globularity: 0.0219418	Sterimol/B1: 2.64317	Sterimol/B2: 3.88412	Sterimol/B3: 4.89429
Sterimol/B4: 6.5745	Sterimol/L: 19.5962

Surface and Volume Properties
Accessible surface: 651.548	Positive charged surface: 392.256	Negative charged surface: 255.26	Volume: 348.75
Hydrophobic surface: 571.181	Hydrophilic surface: 80.367

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: no related molecules available.