MMsINC Database Search


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MMsINC code: MMs00278427

Type: Neutral
Formula: C₁₈H₁₄N₂O₄

SMILES:

O(C(=O)c1ccc(NC(=O)C(=O)c2c3c([nH]c2)cccc3)cc1)C

InChI:

InChI=1/C18H14N2O4/c1-24-18(23)11-6-8-12(9-7-11)20-17(22)16(21)14-10-19-15-5-3-2-4-13(14)15/h2-10,19H,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.2105 kcal/mol

Physical Properties
Molecular Weight: 322.32 g/mol	logS: -4.35785	SlogP: 2.7759	Reactive groups: 0

Topological Properties
Globularity: 0.00938031	Sterimol/B1: 2.19038	Sterimol/B2: 3.0777	Sterimol/B3: 3.97095
Sterimol/B4: 4.36294	Sterimol/L: 20.1319

Surface and Volume Properties
Accessible surface: 574.913	Positive charged surface: 331.644	Negative charged surface: 236.753	Volume: 295.125
Hydrophobic surface: 416.962	Hydrophilic surface: 157.951

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.