MMsINC Database Search


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MMsINC code: MMs03426038

Type: Neutral
Formula: C₁₆H₁₆N₂O₃

SMILES:

Oc1ccccc1C(=O)NC(=O)c1ccc(N(C)C)cc1

InChI:

InChI=1/C16H16N2O3/c1-18(2)12-9-7-11(8-10-12)15(20)17-16(21)13-5-3-4-6-14(13)19/h3-10,19H,1-2H3,(H,17,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.6984 kcal/mol

Physical Properties
Molecular Weight: 284.315 g/mol	logS: -3.25168	SlogP: 2.0284	Reactive groups: 0

Topological Properties
Globularity: 0.00541386	Sterimol/B1: 2.36125	Sterimol/B2: 2.46086	Sterimol/B3: 3.9902
Sterimol/B4: 5.07362	Sterimol/L: 17.1409

Surface and Volume Properties
Accessible surface: 524.356	Positive charged surface: 332.649	Negative charged surface: 191.707	Volume: 274.25
Hydrophobic surface: 417.022	Hydrophilic surface: 107.334

Pharmacophoric Properties
Hydrogen bond donors: 2	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.