MMsINC Database Search


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MMsINC code: MMs01196936

Type: Neutral
Formula: C₂₃H₃₄N₂O₄

SMILES:

O(C(=O)c1n(CC)c(C)c(C(=O)CN(C(=O)C2CCCCC2)C2CC2)c1C)CC

InChI:

InChI=1/C23H34N2O4/c1-5-24-16(4)20(15(3)21(24)23(28)29-6-2)19(26)14-25(18-12-13-18)22(27)17-10-8-7-9-11-17/h17-18H,5-14H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.2631 kcal/mol

Physical Properties
Molecular Weight: 402.535 g/mol	logS: -4.16343	SlogP: 4.32194	Reactive groups: 0

Topological Properties
Globularity: 0.0452962	Sterimol/B1: 2.38478	Sterimol/B2: 3.44126	Sterimol/B3: 5.41192
Sterimol/B4: 6.38776	Sterimol/L: 20.1694

Surface and Volume Properties
Accessible surface: 690.08	Positive charged surface: 489.772	Negative charged surface: 200.308	Volume: 415.875
Hydrophobic surface: 543.444	Hydrophilic surface: 146.636

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: 1

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Ions/Tautomers related molecules: no related molecules available.