MMsINC Database Search


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MMsINC code: MMs00624166

Type: Neutral
Formula: C₁₈H₁₃NO₅

SMILES:

O(C(=O)CN1C(=O)c2c(cccc2)C1=O)c1ccccc1C(=O)C

InChI:

InChI=1/C18H13NO5/c1-11(20)12-6-4-5-9-15(12)24-16(21)10-19-17(22)13-7-2-3-8-14(13)18(19)23/h2-9H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.6305 kcal/mol

Physical Properties
Molecular Weight: 323.304 g/mol	logS: -4.3875	SlogP: 2.0908	Reactive groups: 0

Topological Properties
Globularity: 0.0898372	Sterimol/B1: 2.3643	Sterimol/B2: 3.58888	Sterimol/B3: 4.08658
Sterimol/B4: 7.51645	Sterimol/L: 15.3172

Surface and Volume Properties
Accessible surface: 548.535	Positive charged surface: 297.89	Negative charged surface: 250.645	Volume: 289.375
Hydrophobic surface: 420.098	Hydrophilic surface: 128.437

Pharmacophoric Properties
Hydrogen bond donors: 0	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.