MMsINC Database Search


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MMsINC code: MMs01499257

Type: Neutral
Formula: C₂₄H₂₁NO₅

SMILES:

O(C)c1ccccc1CNC(=O)COC(=O)c1ccc(cc1)C(=O)c1ccccc1

InChI:

InChI=1/C24H21NO5/c1-29-21-10-6-5-9-20(21)15-25-22(26)16-30-24(28)19-13-11-18(12-14-19)23(27)17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.664 kcal/mol

Physical Properties
Molecular Weight: 403.434 g/mol	logS: -5.83027	SlogP: 3.6658	Reactive groups: 0

Topological Properties
Globularity: 0.036209	Sterimol/B1: 2.26703	Sterimol/B2: 3.5018	Sterimol/B3: 6.0857
Sterimol/B4: 6.38396	Sterimol/L: 22.4949

Surface and Volume Properties
Accessible surface: 715.816	Positive charged surface: 433.219	Negative charged surface: 282.597	Volume: 384
Hydrophobic surface: 587.36	Hydrophilic surface: 128.456

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.