MMsINC Database Search


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MMsINC code: MMs00646004

Type: Neutral
Formula: C₂₄H₁₇NO₅

SMILES:

O(C(=O)CN1C(=O)c2c(cccc2)C1=O)c1ccc(cc1C)C(=O)c1ccccc1

InChI:

InChI=1/C24H17NO5/c1-15-13-17(22(27)16-7-3-2-4-8-16)11-12-20(15)30-21(26)14-25-23(28)18-9-5-6-10-19(18)24(25)29/h2-13H,14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.364 kcal/mol

Physical Properties
Molecular Weight: 399.402 g/mol	logS: -6.30851	SlogP: 3.42762	Reactive groups: 0

Topological Properties
Globularity: 0.0809689	Sterimol/B1: 2.13656	Sterimol/B2: 4.42172	Sterimol/B3: 5.66041
Sterimol/B4: 6.30992	Sterimol/L: 18.8122

Surface and Volume Properties
Accessible surface: 667.739	Positive charged surface: 346.173	Negative charged surface: 321.566	Volume: 368.375
Hydrophobic surface: 524.231	Hydrophilic surface: 143.508

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.