MMsINC Database Search


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MMsINC code: MMs03377066

Type: Neutral
Formula: C₆H₁₀N₂O₂

SMILES:

O=C1NC(=O)N(CC1C)C

InChI:

InChI=1/C6H10N2O2/c1-4-3-8(2)6(10)7-5(4)9/h4H,3H2,1-2H3,(H,7,9,10)/t4-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-19.8022 kcal/mol

Physical Properties
Molecular Weight: 142.158 g/mol	logS: -0.11818	SlogP: -0.1959	Reactive groups: 0

Topological Properties
Globularity: 0.266638	Sterimol/B1: 2.19151	Sterimol/B2: 2.55829	Sterimol/B3: 4.41015
Sterimol/B4: 5.20399	Sterimol/L: 8.94262

Surface and Volume Properties
Accessible surface: 308.75	Positive charged surface: 222.719	Negative charged surface: 86.0307	Volume: 132.5
Hydrophobic surface: 176.255	Hydrophilic surface: 132.495

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.