MMsINC Database Search


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MMsINC code: MMs00312386

Type: Neutral
Formula: C₂₄H₂₇N₃O₄

SMILES:

O(C)c1cc(ccc1OC)C(=O)N(CC(=O)NC(C)(C)C)c1cc2c(nc1)cccc2

InChI:

InChI=1/C24H27N3O4/c1-24(2,3)26-22(28)15-27(18-12-16-8-6-7-9-19(16)25-14-18)23(29)17-10-11-20(30-4)21(13-17)31-5/h6-14H,15H2,1-5H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=215.898 kcal/mol

Physical Properties
Molecular Weight: 421.497 g/mol	logS: -5.09238	SlogP: 3.8135	Reactive groups: 0

Topological Properties
Globularity: 0.0613672	Sterimol/B1: 2.11551	Sterimol/B2: 3.83025	Sterimol/B3: 5.21649
Sterimol/B4: 11.1072	Sterimol/L: 18.2235

Surface and Volume Properties
Accessible surface: 696.528	Positive charged surface: 481.051	Negative charged surface: 210.55	Volume: 408.375
Hydrophobic surface: 560.349	Hydrophilic surface: 136.179

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.