MMsINC Database Search


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MMsINC code: MMs03586614

Type: Neutral
Formula: C₁₁H₂₀N₂O₃

SMILES:

OC(=O)CCCC(=O)NCCN1CCCC1

InChI:

InChI=1/C11H20N2O3/c14-10(4-3-5-11(15)16)12-6-9-13-7-1-2-8-13/h1-9H2,(H,12,14)(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=11.6576 kcal/mol

Physical Properties
Molecular Weight: 228.292 g/mol	logS: -0.17483	SlogP: 0.4533	Reactive groups: 0

Topological Properties
Globularity: 0.0267126	Sterimol/B1: 2.26649	Sterimol/B2: 2.7192	Sterimol/B3: 3.22981
Sterimol/B4: 4.44433	Sterimol/L: 17.6924

Surface and Volume Properties
Accessible surface: 490.147	Positive charged surface: 382.637	Negative charged surface: 107.51	Volume: 229.25
Hydrophobic surface: 337.518	Hydrophilic surface: 152.629

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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.