MMsINC Database Search


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MMsINC code: MMs00717121

Type: Neutral
Formula: C₁₆H₁₄N₂O₃

SMILES:

O=C(C(=O)Nc1ccccc1)c1ccccc1NC(=O)C

InChI:

InChI=1/C16H14N2O3/c1-11(19)17-14-10-6-5-9-13(14)15(20)16(21)18-12-7-3-2-4-8-12/h2-10H,1H3,(H,17,19)(H,18,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.354 kcal/mol

Physical Properties
Molecular Weight: 282.299 g/mol	logS: -3.89567	SlogP: 2.4664	Reactive groups: 0

Topological Properties
Globularity: 0.0179745	Sterimol/B1: 2.13285	Sterimol/B2: 2.62567	Sterimol/B3: 2.71003
Sterimol/B4: 8.28303	Sterimol/L: 15.7922

Surface and Volume Properties
Accessible surface: 515.826	Positive charged surface: 294.403	Negative charged surface: 221.422	Volume: 264.375
Hydrophobic surface: 411.299	Hydrophilic surface: 104.527

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.