MMsINC Database Search


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MMsINC code: MMs00173463

Type: Neutral
Formula: C₁₆H₁₄N₂O₄

SMILES:

O(C(=O)c1cccnc1)CC(=O)Nc1ccc(cc1)C(=O)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.1668 kcal/mol

Physical Properties
Molecular Weight: 298.298 g/mol	logS: -2.81717	SlogP: 2.0797	Reactive groups: 0

Topological Properties
Globularity: 0.0128679	Sterimol/B1: 2.27014	Sterimol/B2: 3.27114	Sterimol/B3: 3.54616
Sterimol/B4: 4.45003	Sterimol/L: 19.1281

Surface and Volume Properties
Accessible surface: 550.847	Positive charged surface: 344.012	Negative charged surface: 206.835	Volume: 276.375
Hydrophobic surface: 410.015	Hydrophilic surface: 140.832

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.