MMsINC Database Search


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MMsINC code: MMs01460281

Type: Neutral
Formula: C₂₄H₂₃NO₅

SMILES:

O(C)c1cc(OC)ccc1NC(=O)COC(=O)c1ccccc1Cc1ccccc1

InChI:

InChI=1/C24H23NO5/c1-28-19-12-13-21(22(15-19)29-2)25-23(26)16-30-24(27)20-11-7-6-10-18(20)14-17-8-4-3-5-9-17/h3-13,15H,14,16H2,1-2H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.247 kcal/mol

Physical Properties
Molecular Weight: 405.45 g/mol	logS: -5.98018	SlogP: 4.09007	Reactive groups: 0

Topological Properties
Globularity: 0.0257626	Sterimol/B1: 3.12298	Sterimol/B2: 3.5586	Sterimol/B3: 3.83059
Sterimol/B4: 8.39753	Sterimol/L: 22.0501

Surface and Volume Properties
Accessible surface: 715.356	Positive charged surface: 488.085	Negative charged surface: 227.272	Volume: 389.125
Hydrophobic surface: 631.504	Hydrophilic surface: 83.852

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.