MMsINC Database Search


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MMsINC code: MMs01469619

Type: Neutral
Formula: C₂₅H₂₃NO₅

SMILES:

O(C)c1ccc(cc1)CNC(=O)COC(=O)c1ccccc1C(=O)c1ccc(cc1)C

InChI:

InChI=1/C25H23NO5/c1-17-7-11-19(12-8-17)24(28)21-5-3-4-6-22(21)25(29)31-16-23(27)26-15-18-9-13-20(30-2)14-10-18/h3-14H,15-16H2,1-2H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.836 kcal/mol

Physical Properties
Molecular Weight: 417.461 g/mol	logS: -6.30419	SlogP: 3.97422	Reactive groups: 0

Topological Properties
Globularity: 0.0571324	Sterimol/B1: 2.23036	Sterimol/B2: 2.77271	Sterimol/B3: 5.6274
Sterimol/B4: 11.0923	Sterimol/L: 19.665

Surface and Volume Properties
Accessible surface: 740.939	Positive charged surface: 465.641	Negative charged surface: 275.298	Volume: 405.75
Hydrophobic surface: 626.03	Hydrophilic surface: 114.909

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.