MMsINC Database Search


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MMsINC code: MMs01469820

Type: Neutral
Formula: C₂₄H₂₁NO₅

SMILES:

O(Cc1ccccc1)c1ccccc1C(OCC(=O)Nc1ccc(cc1)C(=O)C)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.334 kcal/mol

Physical Properties
Molecular Weight: 403.434 g/mol	logS: -5.89359	SlogP: 4.5301	Reactive groups: 0

Topological Properties
Globularity: 0.0234295	Sterimol/B1: 3.23938	Sterimol/B2: 4.13058	Sterimol/B3: 5.33076
Sterimol/B4: 7.48218	Sterimol/L: 21.128

Surface and Volume Properties
Accessible surface: 721.137	Positive charged surface: 421.11	Negative charged surface: 300.027	Volume: 384.125
Hydrophobic surface: 596.175	Hydrophilic surface: 124.962

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.