MMsINC Database Search


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MMsINC code: MMs00797345

Type: Neutral
Formula: C₁₆H₁₄N₂O₄

SMILES:

O(C(=O)c1ccc(NC(=O)NC(=O)c2ccccc2)cc1)C

InChI:

InChI=1/C16H14N2O4/c1-22-15(20)12-7-9-13(10-8-12)17-16(21)18-14(19)11-5-3-2-4-6-11/h2-10H,1H3,(H2,17,18,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.6098 kcal/mol

Physical Properties
Molecular Weight: 298.298 g/mol	logS: -3.96513	SlogP: 2.4351	Reactive groups: 0

Topological Properties
Globularity: 0.00880504	Sterimol/B1: 2.24891	Sterimol/B2: 2.9294	Sterimol/B3: 3.77937
Sterimol/B4: 3.95707	Sterimol/L: 19.7284

Surface and Volume Properties
Accessible surface: 546.376	Positive charged surface: 330.309	Negative charged surface: 216.067	Volume: 274.75
Hydrophobic surface: 414.809	Hydrophilic surface: 131.567

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.