MMsINC Database Search


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MMsINC code: MMs02711735

Type: Neutral
Formula: C₂₄H₁₉NO₆

SMILES:

O1c2c(NC(=O)C1(c1ccc(OC(=O)C)cc1)c1ccc(OC(=O)C)cc1)cccc2

InChI:

InChI=1/C24H19NO6/c1-15(26)29-19-11-7-17(8-12-19)24(18-9-13-20(14-10-18)30-16(2)27)23(28)25-21-5-3-4-6-22(21)31-24/h3-14H,1-2H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=151.539 kcal/mol

Physical Properties
Molecular Weight: 417.417 g/mol	logS: -6.02903	SlogP: 4.1234	Reactive groups: 0

Topological Properties
Globularity: 0.152016	Sterimol/B1: 2.20731	Sterimol/B2: 3.75747	Sterimol/B3: 4.95656
Sterimol/B4: 11.9685	Sterimol/L: 16.3704

Surface and Volume Properties
Accessible surface: 678.783	Positive charged surface: 380.935	Negative charged surface: 297.848	Volume: 380.875
Hydrophobic surface: 543.135	Hydrophilic surface: 135.648

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.