MMsINC Database Search


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MMsINC code: MMs00641209

Type: Neutral
Formula: C₂₄H₁₄N₂O₆

SMILES:

O1C(=Nc2c(cccc2)C1=O)c1cc2c(cc1)C(=O)N(C2=O)c1cc(OC(=O)C)ccc
1

InChI:

InChI=1/C24H14N2O6/c1-13(27)31-16-6-4-5-15(12-16)26-22(28)17-10-9-14(11-19(17)23(26)29)21-25-20-8-3-2-7-18(20)24(30)32-21/h2-12H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.789 kcal/mol

Physical Properties
Molecular Weight: 426.384 g/mol	logS: -7.24239	SlogP: 3.6612	Reactive groups: 0

Topological Properties
Globularity: 0.00826777	Sterimol/B1: 2.28437	Sterimol/B2: 2.7332	Sterimol/B3: 3.14933
Sterimol/B4: 7.35297	Sterimol/L: 22.0108

Surface and Volume Properties
Accessible surface: 673.074	Positive charged surface: 348.356	Negative charged surface: 324.718	Volume: 370.625
Hydrophobic surface: 491.077	Hydrophilic surface: 181.997

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.