MMsINC Database Search


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MMsINC code: MMs00531971

Type: Neutral
Formula: C₁₅H₂₃NO₃

SMILES:

O(C(=O)c1[nH]c(C)c(C(=O)CCCCC)c1C)CC

InChI:

InChI=1/C15H23NO3/c1-5-7-8-9-12(17)13-10(3)14(16-11(13)4)15(18)19-6-2/h16H,5-9H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.2795 kcal/mol

Physical Properties
Molecular Weight: 265.353 g/mol	logS: -3.22352	SlogP: 3.57124	Reactive groups: 0

Topological Properties
Globularity: 0.0421098	Sterimol/B1: 2.16966	Sterimol/B2: 3.82719	Sterimol/B3: 5.00448
Sterimol/B4: 5.49776	Sterimol/L: 19.1109

Surface and Volume Properties
Accessible surface: 563.881	Positive charged surface: 393.392	Negative charged surface: 170.489	Volume: 280.125
Hydrophobic surface: 425.512	Hydrophilic surface: 138.369

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.