MMsINC Database Search


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MMsINC code: MMs01255460

Type: Neutral
Formula: C₂₄H₁₉NO₆

SMILES:

O1c2c(cccc2)C(c2c1cccc2)C(OCC(=O)NCc1cc2OCOc2cc1)=O

InChI:

InChI=1/C24H19NO6/c26-22(25-12-15-9-10-20-21(11-15)30-14-29-20)13-28-24(27)23-16-5-1-3-7-18(16)31-19-8-4-2-6-17(19)23/h1-11,23H,12-14H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.872 kcal/mol

Physical Properties
Molecular Weight: 417.417 g/mol	logS: -5.91506	SlogP: 3.7789	Reactive groups: 0

Topological Properties
Globularity: 0.0575554	Sterimol/B1: 2.46856	Sterimol/B2: 3.63447	Sterimol/B3: 4.31799
Sterimol/B4: 9.53876	Sterimol/L: 19.7658

Surface and Volume Properties
Accessible surface: 699.388	Positive charged surface: 432.436	Negative charged surface: 266.951	Volume: 378.375
Hydrophobic surface: 565.441	Hydrophilic surface: 133.947

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.