MMsINC Database Search


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MMsINC code: MMs01469779

Type: Neutral
Formula: C₂₄H₁₉NO₅

SMILES:

O(Cc1ccccc1)c1ccccc1C(OCCN1C(=O)c2c(cccc2)C1=O)=O

InChI:

InChI=1/C24H19NO5/c26-22-18-10-4-5-11-19(18)23(27)25(22)14-15-29-24(28)20-12-6-7-13-21(20)30-16-17-8-2-1-3-9-17/h1-13H,14-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.2218 kcal/mol

Physical Properties
Molecular Weight: 401.418 g/mol	logS: -5.92908	SlogP: 3.985	Reactive groups: 0

Topological Properties
Globularity: 0.112269	Sterimol/B1: 2.48705	Sterimol/B2: 3.81881	Sterimol/B3: 5.43613
Sterimol/B4: 9.06343	Sterimol/L: 17.3276

Surface and Volume Properties
Accessible surface: 686.015	Positive charged surface: 395.297	Negative charged surface: 290.718	Volume: 378.875
Hydrophobic surface: 589.45	Hydrophilic surface: 96.565

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.