MMsINC Database Search


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MMsINC code: MMs02685962

Type: Neutral
Formula: C₁₇H₁₄N₂O₄

SMILES:

o1c(ccc1\C=C\1/C(=O)N(Cc2ccccc2)C(=O)NC/1=O)C

InChI:

InChI=1/C17H14N2O4/c1-11-7-8-13(23-11)9-14-15(20)18-17(22)19(16(14)21)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,20,22)/b14-9-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=17.0587 kcal/mol

Physical Properties
Molecular Weight: 310.309 g/mol	logS: -4.53797	SlogP: 2.51642	Reactive groups: 0

Topological Properties
Globularity: 0.0900637	Sterimol/B1: 2.15744	Sterimol/B2: 3.14695	Sterimol/B3: 3.82189
Sterimol/B4: 8.83198	Sterimol/L: 13.6259

Surface and Volume Properties
Accessible surface: 508.947	Positive charged surface: 289.148	Negative charged surface: 219.799	Volume: 283.125
Hydrophobic surface: 378.153	Hydrophilic surface: 130.794

Pharmacophoric Properties
Hydrogen bond donors: 1	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.