MMsINC Database Search


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MMsINC code: MMs00350849

Type: Neutral
Formula: C₂₂H₂₄N₂O₅

SMILES:

O(C)c1c(OC)cc(cc1OC)C(=O)N(CC1=Cc2c(NC1=O)cccc2)CC

InChI:

InChI=1/C22H24N2O5/c1-5-24(13-16-10-14-8-6-7-9-17(14)23-21(16)25)22(26)15-11-18(27-2)20(29-4)19(12-15)28-3/h6-12H,5,13H2,1-4H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.009 kcal/mol

Physical Properties
Molecular Weight: 396.443 g/mol	logS: -4.53761	SlogP: 3.2102	Reactive groups: 0

Topological Properties
Globularity: 0.0993231	Sterimol/B1: 2.26028	Sterimol/B2: 3.71324	Sterimol/B3: 4.28259
Sterimol/B4: 10.097	Sterimol/L: 16.7674

Surface and Volume Properties
Accessible surface: 649.676	Positive charged surface: 473.527	Negative charged surface: 176.149	Volume: 374.875
Hydrophobic surface: 529.055	Hydrophilic surface: 120.621

Pharmacophoric Properties
Hydrogen bond donors: 1	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.