MMsINC Database Search


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MMsINC code: MMs00525509

Type: Neutral
Formula: C₂₃H₁₅NO₆

SMILES:

O(C(=O)c1cc2c(cc1)C(=O)N(C2=O)c1ccc(cc1)C(OC)=O)c1ccccc1

InChI:

InChI=1/C23H15NO6/c1-29-22(27)14-7-10-16(11-8-14)24-20(25)18-12-9-15(13-19(18)21(24)26)23(28)30-17-5-3-2-4-6-17/h2-13H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.808 kcal/mol

Physical Properties
Molecular Weight: 401.374 g/mol	logS: -6.25438	SlogP: 3.493	Reactive groups: 0

Topological Properties
Globularity: 0.0149006	Sterimol/B1: 2.53279	Sterimol/B2: 3.52917	Sterimol/B3: 3.69217
Sterimol/B4: 6.35259	Sterimol/L: 22.7881

Surface and Volume Properties
Accessible surface: 668.318	Positive charged surface: 377.947	Negative charged surface: 290.371	Volume: 358.375
Hydrophobic surface: 526.996	Hydrophilic surface: 141.322

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.