MMsINC Database Search


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MMsINC code: MMs01783662

Type: Neutral
Formula: C₂₄H₂₃NO₅

SMILES:

O1c2c(ccc(OCC(=O)c3c4cc(OC)ccc4n(C)c3C)c2)C(C)=C(C)C1=O

InChI:

InChI=1/C24H23NO5/c1-13-14(2)24(27)30-22-11-17(6-8-18(13)22)29-12-21(26)23-15(3)25(4)20-9-7-16(28-5)10-19(20)23/h6-11H,12H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.362 kcal/mol

Physical Properties
Molecular Weight: 405.45 g/mol	logS: -5.81566	SlogP: 4.82862	Reactive groups: 0

Topological Properties
Globularity: 0.0623439	Sterimol/B1: 2.02033	Sterimol/B2: 6.11027	Sterimol/B3: 6.33206
Sterimol/B4: 6.53762	Sterimol/L: 19.0268

Surface and Volume Properties
Accessible surface: 695.578	Positive charged surface: 431.256	Negative charged surface: 259.646	Volume: 386.5
Hydrophobic surface: 582.973	Hydrophilic surface: 112.605

Pharmacophoric Properties
Hydrogen bond donors: 0	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.