MMsINC Database Search


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MMsINC code: MMs00681086

Type: Neutral
Formula: C₁₉H₁₄N₂O₅

SMILES:

O(C(=O)c1ccc(cc1)C)c1ccccc1C=C1C(=O)NC(=O)NC1=O

InChI:

InChI=1/C19H14N2O5/c1-11-6-8-12(9-7-11)18(24)26-15-5-3-2-4-13(15)10-14-16(22)20-19(25)21-17(14)23/h2-10H,1H3,(H2,20,21,22,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.3824 kcal/mol

Physical Properties
Molecular Weight: 350.33 g/mol	logS: -5.39908	SlogP: 1.96362	Reactive groups: 0

Topological Properties
Globularity: 0.0706295	Sterimol/B1: 3.26878	Sterimol/B2: 4.21472	Sterimol/B3: 4.42409
Sterimol/B4: 7.54911	Sterimol/L: 15.9717

Surface and Volume Properties
Accessible surface: 581.8	Positive charged surface: 316.032	Negative charged surface: 265.768	Volume: 312.5
Hydrophobic surface: 375.417	Hydrophilic surface: 206.383

Pharmacophoric Properties
Hydrogen bond donors: 2	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.