MMsINC Database Search


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MMsINC code: MMs00868964

Type: Neutral
Formula: C₁₀H₂₀N₂O₃

SMILES:

OC(=O)C(NC(=O)C(N)C(C)C)C(C)C

InChI:

InChI=1/C10H20N2O3/c1-5(2)7(11)9(13)12-8(6(3)4)10(14)15/h5-8H,11H2,1-4H3,(H,12,13)(H,14,15)/t7-,8+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.3412 kcal/mol

Physical Properties
Molecular Weight: 216.281 g/mol	logS: -0.91181	SlogP: 0.1951	Reactive groups: 0

Topological Properties
Globularity: 0.186819	Sterimol/B1: 2.42574	Sterimol/B2: 4.12451	Sterimol/B3: 4.50964
Sterimol/B4: 5.78726	Sterimol/L: 11.8018

Surface and Volume Properties
Accessible surface: 426.055	Positive charged surface: 293.964	Negative charged surface: 132.091	Volume: 217.75
Hydrophobic surface: 196.966	Hydrophilic surface: 229.089

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.