MMsINC Database Search


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MMsINC code: MMs01197444

Type: Neutral
Formula: C₂₃H₃₆N₂O₄

SMILES:

O(C(=O)c1n(CC)c(C)c(C(=O)CN(C(=O)CCCC)C2CCCCC2)c1C)C

InChI:

InChI=1/C23H36N2O4/c1-6-8-14-20(27)25(18-12-10-9-11-13-18)15-19(26)21-16(3)22(23(28)29-5)24(7-2)17(21)4/h18H,6-15H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.6354 kcal/mol

Physical Properties
Molecular Weight: 404.551 g/mol	logS: -4.14003	SlogP: 4.71204	Reactive groups: 0

Topological Properties
Globularity: 0.0552949	Sterimol/B1: 2.48287	Sterimol/B2: 3.50148	Sterimol/B3: 3.95721
Sterimol/B4: 11.5169	Sterimol/L: 16.886

Surface and Volume Properties
Accessible surface: 713.937	Positive charged surface: 537.413	Negative charged surface: 176.523	Volume: 422.375
Hydrophobic surface: 600.712	Hydrophilic surface: 113.225

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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: 0

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Ions/Tautomers related molecules: no related molecules available.