MMsINC Database Search


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MMsINC code: MMs00483002

Type: Neutral
Formula: C₁₁H₂₁N₃O₄

SMILES:

O(C(=O)C(NC(=O)CNC(=O)C)CCCCN)C

InChI:

InChI=1/C11H21N3O4/c1-8(15)13-7-10(16)14-9(11(17)18-2)5-3-4-6-12/h9H,3-7,12H2,1-2H3,(H,13,15)(H,14,16)/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.8014 kcal/mol

Physical Properties
Molecular Weight: 259.306 g/mol	logS: -0.64788	SlogP: -1.0907	Reactive groups: 0

Topological Properties
Globularity: 0.0498349	Sterimol/B1: 2.41934	Sterimol/B2: 3.60044	Sterimol/B3: 3.61998
Sterimol/B4: 8.63811	Sterimol/L: 15.8531

Surface and Volume Properties
Accessible surface: 547.894	Positive charged surface: 419.717	Negative charged surface: 128.176	Volume: 252.625
Hydrophobic surface: 349.317	Hydrophilic surface: 198.577

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

MMs00483003
BACHEM-ZINC02390931