MMsINC Database Search


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MMsINC code: MMs01213739

Type: Neutral
Formula: C₂₂H₃₄N₂O₄

SMILES:

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

InChI:

InChI=1/C22H34N2O4/c1-6-13-23(21(26)17-11-9-8-10-12-17)14-18(25)19-15(3)20(22(27)28-5)24(7-2)16(19)4/h17H,6-14H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.6688 kcal/mol

Physical Properties
Molecular Weight: 390.524 g/mol	logS: -3.81282	SlogP: 4.17944	Reactive groups: 0

Topological Properties
Globularity: 0.18933	Sterimol/B1: 2.08498	Sterimol/B2: 4.58335	Sterimol/B3: 4.96182
Sterimol/B4: 11.1235	Sterimol/L: 15.3629

Surface and Volume Properties
Accessible surface: 681.826	Positive charged surface: 501.792	Negative charged surface: 180.034	Volume: 402.5
Hydrophobic surface: 569.892	Hydrophilic surface: 111.934

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.