MMsINC Database Search


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MMsINC code: MMs00571919

Type: Neutral
Formula: C₁₇H₁₆N₂O₃

SMILES:

O1Cc2c(ccc(NCc3ccc(NC(=O)C)cc3)c2)C1=O

InChI:

InChI=1/C17H16N2O3/c1-11(20)19-14-4-2-12(3-5-14)9-18-15-6-7-16-13(8-15)10-22-17(16)21/h2-8,18H,9-10H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.5501 kcal/mol

Physical Properties
Molecular Weight: 296.326 g/mol	logS: -3.66282	SlogP: 3.4603	Reactive groups: 0

Topological Properties
Globularity: 0.0409535	Sterimol/B1: 3.03113	Sterimol/B2: 3.52159	Sterimol/B3: 4.32469
Sterimol/B4: 4.44119	Sterimol/L: 18.75

Surface and Volume Properties
Accessible surface: 548.081	Positive charged surface: 335.835	Negative charged surface: 212.246	Volume: 282.375
Hydrophobic surface: 388.763	Hydrophilic surface: 159.318

Pharmacophoric Properties
Hydrogen bond donors: 2	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.