MMsINC Database Search


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MMsINC code: MMs00846596

Type: Neutral
Formula: C₁₅H₂₄N₂O₄

SMILES:

O(C(=O)c1n(C)c(C)c(C(=O)NC(COC)C)c1C)CC

InChI:

InChI=1/C15H24N2O4/c1-7-21-15(19)13-10(3)12(11(4)17(13)5)14(18)16-9(2)8-20-6/h9H,7-8H2,1-6H3,(H,16,18)/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.4801 kcal/mol

Physical Properties
Molecular Weight: 296.367 g/mol	logS: -1.67381	SlogP: 1.94254	Reactive groups: 0

Topological Properties
Globularity: 0.093392	Sterimol/B1: 3.73455	Sterimol/B2: 3.85082	Sterimol/B3: 4.99853
Sterimol/B4: 5.46699	Sterimol/L: 16.9708

Surface and Volume Properties
Accessible surface: 578.581	Positive charged surface: 436.717	Negative charged surface: 141.864	Volume: 303.25
Hydrophobic surface: 461.066	Hydrophilic surface: 117.515

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.