MMsINC Database Search


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MMsINC code: MMs01418659

Type: Neutral
Formula: C₁₉H₁₅NO₃

SMILES:

O(C(=O)c1ccccc1)CC(=O)Nc1c2c(ccc1)cccc2

InChI:

InChI=1/C19H15NO3/c21-18(13-23-19(22)15-8-2-1-3-9-15)20-17-12-6-10-14-7-4-5-11-16(14)17/h1-12H,13H2,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.6856 kcal/mol

Physical Properties
Molecular Weight: 305.333 g/mol	logS: -5.64092	SlogP: 3.6353	Reactive groups: 0

Topological Properties
Globularity: 0.018054	Sterimol/B1: 2.28701	Sterimol/B2: 3.71625	Sterimol/B3: 4.27328
Sterimol/B4: 5.39372	Sterimol/L: 18.1182

Surface and Volume Properties
Accessible surface: 562.674	Positive charged surface: 301.937	Negative charged surface: 250.798	Volume: 293.125
Hydrophobic surface: 484.813	Hydrophilic surface: 77.861

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.