MMsINC Database Search


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MMsINC code: MMs01507947

Type: Neutral
Formula: C₂₄H₂₃NO₅

SMILES:

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

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.052 kcal/mol

Physical Properties
Molecular Weight: 405.45 g/mol	logS: -5.32282	SlogP: 3.3686	Reactive groups: 0

Topological Properties
Globularity: 0.0665296	Sterimol/B1: 2.97554	Sterimol/B2: 5.38991	Sterimol/B3: 5.57969
Sterimol/B4: 6.1502	Sterimol/L: 20.2454

Surface and Volume Properties
Accessible surface: 720.528	Positive charged surface: 447.204	Negative charged surface: 273.323	Volume: 390
Hydrophobic surface: 605.94	Hydrophilic surface: 114.588

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.