MMsINC Database Search


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MMsINC code: MMs01478975

Type: Neutral
Formula: C₂₄H₁₉NO₅

SMILES:

O(C(=O)c1ccccc1C(=O)c1ccccc1)CC(=O)Nc1ccc(cc1)C(=O)C

InChI:

InChI=1/C24H19NO5/c1-16(26)17-11-13-19(14-12-17)25-22(27)15-30-24(29)21-10-6-5-9-20(21)23(28)18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.724 kcal/mol

Physical Properties
Molecular Weight: 401.418 g/mol	logS: -6.14812	SlogP: 3.9157	Reactive groups: 0

Topological Properties
Globularity: 0.0388015	Sterimol/B1: 3.66664	Sterimol/B2: 4.64421	Sterimol/B3: 5.42143
Sterimol/B4: 6.61326	Sterimol/L: 19.2009

Surface and Volume Properties
Accessible surface: 690.11	Positive charged surface: 383.4	Negative charged surface: 306.71	Volume: 377.5
Hydrophobic surface: 552.952	Hydrophilic surface: 137.158

Pharmacophoric Properties
Hydrogen bond donors: 1	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.