MMsINC Database Search


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MMsINC code: MMs01467747

Type: Neutral
Formula: C₂₄H₂₃NO₅

SMILES:

O(C)c1ccc(cc1)CCNC(=O)COC(=O)c1ccc(cc1)-c1ccc(O)cc1

InChI:

InChI=1/C24H23NO5/c1-29-22-12-2-17(3-13-22)14-15-25-23(27)16-30-24(28)20-6-4-18(5-7-20)19-8-10-21(26)11-9-19/h2-13,26H,14-16H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.443 kcal/mol

Physical Properties
Molecular Weight: 405.45 g/mol	logS: -5.88336	SlogP: 3.58347	Reactive groups: 0

Topological Properties
Globularity: 0.0145894	Sterimol/B1: 2.59004	Sterimol/B2: 2.77843	Sterimol/B3: 4.66146
Sterimol/B4: 7.62902	Sterimol/L: 24.9204

Surface and Volume Properties
Accessible surface: 744.53	Positive charged surface: 452.439	Negative charged surface: 280.813	Volume: 394
Hydrophobic surface: 590.001	Hydrophilic surface: 154.529

Pharmacophoric Properties
Hydrogen bond donors: 2	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.