MMsINC Database Search


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MMsINC code: MMs00619810

Type: Neutral
Formula: C₁₉H₁₇NO₄

SMILES:

O1c2c(ccc(NC(=O)COc3cc(ccc3)C)c2)C(=CC1=O)C

InChI:

InChI=1/C19H17NO4/c1-12-4-3-5-15(8-12)23-11-18(21)20-14-6-7-16-13(2)9-19(22)24-17(16)10-14/h3-10H,11H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.692 kcal/mol

Physical Properties
Molecular Weight: 323.348 g/mol	logS: -5.62213	SlogP: 3.33482	Reactive groups: 0

Topological Properties
Globularity: 0.0140584	Sterimol/B1: 2.53687	Sterimol/B2: 3.29088	Sterimol/B3: 3.63096
Sterimol/B4: 6.08394	Sterimol/L: 18.9777

Surface and Volume Properties
Accessible surface: 586.699	Positive charged surface: 339.631	Negative charged surface: 247.068	Volume: 306
Hydrophobic surface: 465.532	Hydrophilic surface: 121.167

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.