MMsINC Database Search


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MMsINC code: MMs01763653

Type: Neutral
Formula: C₂₃H₂₆N₂O₄

SMILES:

O(C)c1cc(ccc1OC)C(=O)N(CC1=Cc2c(NC1=O)cccc2)C(C)(C)C

InChI:

InChI=1/C23H26N2O4/c1-23(2,3)25(22(27)16-10-11-19(28-4)20(13-16)29-5)14-17-12-15-8-6-7-9-18(15)24-21(17)26/h6-13H,14H2,1-5H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=296.983 kcal/mol

Physical Properties
Molecular Weight: 394.471 g/mol	logS: -5.14165	SlogP: 3.9802	Reactive groups: 0

Topological Properties
Globularity: 0.0639861	Sterimol/B1: 2.72133	Sterimol/B2: 3.08248	Sterimol/B3: 4.72054
Sterimol/B4: 8.68691	Sterimol/L: 18.1713

Surface and Volume Properties
Accessible surface: 630.066	Positive charged surface: 435.721	Negative charged surface: 194.345	Volume: 377.5
Hydrophobic surface: 495.262	Hydrophilic surface: 134.804

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.