MMsINC Database Search


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MMsINC code: MMs01178840

Type: Neutral
Formula: C₂₄H₂₁NO₅

SMILES:

O1c2cc(ccc2OC1)CC(=O)N(Cc1cc2OCOc2cc1)c1ccccc1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.015 kcal/mol

Physical Properties
Molecular Weight: 403.434 g/mol	logS: -5.14892	SlogP: 4.49469	Reactive groups: 0

Topological Properties
Globularity: 0.10694	Sterimol/B1: 2.40629	Sterimol/B2: 5.64707	Sterimol/B3: 6.14341
Sterimol/B4: 6.19856	Sterimol/L: 17.6684

Surface and Volume Properties
Accessible surface: 640.934	Positive charged surface: 416.897	Negative charged surface: 224.037	Volume: 377.125
Hydrophobic surface: 509.265	Hydrophilic surface: 131.669

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.