MMsINC Database Search


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MMsINC code: MMs00650508

Type: Neutral
Formula: C₂₆H₁₉NO₄

SMILES:

O(C(=O)c1ccc(NC(=O)c2ccccc2)cc1)CC(=O)c1c2c(ccc1)cccc2

InChI:

InChI=1/C26H19NO4/c28-24(23-12-6-10-18-7-4-5-11-22(18)23)17-31-26(30)20-13-15-21(16-14-20)27-25(29)19-8-2-1-3-9-19/h1-16H,17H2,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.558 kcal/mol

Physical Properties
Molecular Weight: 409.441 g/mol	logS: -7.71373	SlogP: 5.1318	Reactive groups: 0

Topological Properties
Globularity: 0.00510697	Sterimol/B1: 2.65581	Sterimol/B2: 2.79409	Sterimol/B3: 4.41972
Sterimol/B4: 5.62167	Sterimol/L: 23.5216

Surface and Volume Properties
Accessible surface: 693.66	Positive charged surface: 366.618	Negative charged surface: 317.929	Volume: 390.375
Hydrophobic surface: 592.427	Hydrophilic surface: 101.233

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.