MMsINC Database Search


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MMsINC code: MMs00575903

Type: Neutral
Formula: C₁₉H₁₇NO₄

SMILES:

O1c2cc(ccc2OC1)CN1C(=O)C(CC1=O)Cc1ccccc1

InChI:

InChI=1/C19H17NO4/c21-18-10-15(8-13-4-2-1-3-5-13)19(22)20(18)11-14-6-7-16-17(9-14)24-12-23-16/h1-7,9,15H,8,10-12H2/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.8949 kcal/mol

Physical Properties
Molecular Weight: 323.348 g/mol	logS: -3.38404	SlogP: 2.79947	Reactive groups: 0

Topological Properties
Globularity: 0.0897728	Sterimol/B1: 2.45067	Sterimol/B2: 3.43401	Sterimol/B3: 4.00467
Sterimol/B4: 7.07912	Sterimol/L: 15.8896

Surface and Volume Properties
Accessible surface: 555.566	Positive charged surface: 348.485	Negative charged surface: 207.081	Volume: 303.25
Hydrophobic surface: 446.565	Hydrophilic surface: 109.001

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.