MMsINC Database Search


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MMsINC code: MMs03396530

Type: Neutral
Formula: C₁₄H₂₅N₃O₄

SMILES:

OC(=O)CNC(=O)C1CCN(CC1)C(=O)C(N)CC(C)C

InChI:

InChI=1/C14H25N3O4/c1-9(2)7-11(15)14(21)17-5-3-10(4-6-17)13(20)16-8-12(18)19/h9-11H,3-8,15H2,1-2H3,(H,16,20)(H,18,19)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.6097 kcal/mol

Physical Properties
Molecular Weight: 299.371 g/mol	logS: -1.38517	SlogP: -0.2008	Reactive groups: 0

Topological Properties
Globularity: 0.0890079	Sterimol/B1: 2.37033	Sterimol/B2: 2.42409	Sterimol/B3: 4.90642
Sterimol/B4: 7.86874	Sterimol/L: 15.0729

Surface and Volume Properties
Accessible surface: 552.068	Positive charged surface: 397.959	Negative charged surface: 154.109	Volume: 293.75
Hydrophobic surface: 288.466	Hydrophilic surface: 263.602

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	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.