MMsINC Database Search


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MMsINC code: MMs02348337

Type: Neutral
Formula: C₁₀H₁₇N₃O₄

SMILES:

OC(=O)C1(NC(=O)CNC(=O)CN)CCCC1

InChI:

InChI=1/C10H17N3O4/c11-5-7(14)12-6-8(15)13-10(9(16)17)3-1-2-4-10/h1-6,11H2,(H,12,14)(H,13,15)(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.2587 kcal/mol

Physical Properties
Molecular Weight: 243.263 g/mol	logS: -0.5788	SlogP: -1.4251	Reactive groups: 0

Topological Properties
Globularity: 0.0778696	Sterimol/B1: 2.22549	Sterimol/B2: 2.35808	Sterimol/B3: 4.49146
Sterimol/B4: 6.29468	Sterimol/L: 14.9124

Surface and Volume Properties
Accessible surface: 464.72	Positive charged surface: 343.829	Negative charged surface: 120.891	Volume: 220.375
Hydrophobic surface: 241.853	Hydrophilic surface: 222.867

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