MMsINC Database Search


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MMsINC code: MMs03293511

Type: Neutral
Formula: C₁₇H₁₇NO₄

SMILES:

O(C)c1ccc(cc1)CC(=O)Nc1ccccc1C(OC)=O

InChI:

InChI=1/C17H17NO4/c1-21-13-9-7-12(8-10-13)11-16(19)18-15-6-4-3-5-14(15)17(20)22-2/h3-10H,11H2,1-2H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.838 kcal/mol

Physical Properties
Molecular Weight: 299.326 g/mol	logS: -3.84845	SlogP: 2.66297	Reactive groups: 0

Topological Properties
Globularity: 0.0630919	Sterimol/B1: 2.3202	Sterimol/B2: 4.58948	Sterimol/B3: 5.33987
Sterimol/B4: 5.7117	Sterimol/L: 17.4837

Surface and Volume Properties
Accessible surface: 562.443	Positive charged surface: 396.082	Negative charged surface: 166.36	Volume: 287.125
Hydrophobic surface: 493.817	Hydrophilic surface: 68.626

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.