MMsINC Database Search


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MMsINC code: MMs01469782

Type: Neutral
Formula: C₂₄H₂₃NO₅

SMILES:

O(Cc1ccccc1)c1ccccc1C(OCC(=O)Nc1cc(ccc1OC)C)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.473 kcal/mol

Physical Properties
Molecular Weight: 405.45 g/mol	logS: -6.10562	SlogP: 4.64452	Reactive groups: 0

Topological Properties
Globularity: 0.031741	Sterimol/B1: 3.11775	Sterimol/B2: 4.30742	Sterimol/B3: 4.44054
Sterimol/B4: 8.51868	Sterimol/L: 18.6575

Surface and Volume Properties
Accessible surface: 731.773	Positive charged surface: 475.319	Negative charged surface: 256.454	Volume: 392.375
Hydrophobic surface: 650.347	Hydrophilic surface: 81.426

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.