MMsINC Database Search


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MMsINC code: MMs01311208

Type: Neutral
Formula: C₂₄H₂₁NO₅

SMILES:

O(C)c1ccc(cc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1)C

InChI:

InChI=1/C24H21NO5/c1-16-12-13-21(29-2)20(14-16)25-22(26)15-30-24(28)19-11-7-6-10-18(19)23(27)17-8-4-3-5-9-17/h3-14H,15H2,1-2H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.938 kcal/mol

Physical Properties
Molecular Weight: 403.434 g/mol	logS: -6.36015	SlogP: 4.03012	Reactive groups: 0

Topological Properties
Globularity: 0.037897	Sterimol/B1: 3.19445	Sterimol/B2: 4.00334	Sterimol/B3: 4.26689
Sterimol/B4: 8.90519	Sterimol/L: 16.8747

Surface and Volume Properties
Accessible surface: 700.484	Positive charged surface: 433.719	Negative charged surface: 266.766	Volume: 382.875
Hydrophobic surface: 607.517	Hydrophilic surface: 92.967

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.