MMsINC Database Search


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MMsINC code: MMs02998049

Type: Neutral
Formula: C₁₆H₁₄N₂O₄

SMILES:

O(NC(=O)CNC(=O)c1ccccc1)C(=O)c1ccccc1

InChI:

InChI=1/C16H14N2O4/c19-14(11-17-15(20)12-7-3-1-4-8-12)18-22-16(21)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,20)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.626 kcal/mol

Physical Properties
Molecular Weight: 298.298 g/mol	logS: -3.99157	SlogP: 1.3046	Reactive groups: 0

Topological Properties
Globularity: 0.00170205	Sterimol/B1: 2.37302	Sterimol/B2: 2.37708	Sterimol/B3: 3.14226
Sterimol/B4: 5.41036	Sterimol/L: 19.2134

Surface and Volume Properties
Accessible surface: 559.486	Positive charged surface: 294.561	Negative charged surface: 264.925	Volume: 274.5
Hydrophobic surface: 415.028	Hydrophilic surface: 144.458

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.