MMsINC Database Search


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MMsINC code: MMs01658508

Type: Neutral
Formula: C₁₈H₁₄N₂O₄

SMILES:

O(C(=O)c1c2c([nH]c1)cccc2)CC(=O)NC(=O)c1ccccc1

InChI:

InChI=1/C18H14N2O4/c21-16(20-17(22)12-6-2-1-3-7-12)11-24-18(23)14-10-19-15-9-5-4-8-13(14)15/h1-10,19H,11H2,(H,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.0458 kcal/mol

Physical Properties
Molecular Weight: 322.32 g/mol	logS: -4.38429	SlogP: 2.2813	Reactive groups: 0

Topological Properties
Globularity: 0.00147445	Sterimol/B1: 2.37051	Sterimol/B2: 2.37857	Sterimol/B3: 3.56175
Sterimol/B4: 4.92065	Sterimol/L: 20.2154

Surface and Volume Properties
Accessible surface: 579.442	Positive charged surface: 305.048	Negative charged surface: 269.38	Volume: 297.125
Hydrophobic surface: 417.184	Hydrophilic surface: 162.258

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.