MMsINC Database Search


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MMsINC code: MMs02292066

Type: Neutral
Formula: C₁₁H₁₅N₅O₃

SMILES:

O=C1N(C)C(=O)N(c2nc(n(c12)C)CCC(=O)N)C

InChI:

InChI=1/C11H15N5O3/c1-14-7(5-4-6(12)17)13-9-8(14)10(18)16(3)11(19)15(9)2/h4-5H2,1-3H3,(H2,12,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-20.5437 kcal/mol

Physical Properties
Molecular Weight: 265.273 g/mol	logS: -0.71566	SlogP: -0.16103	Reactive groups: 0

Topological Properties
Globularity: 0.060519	Sterimol/B1: 2.09776	Sterimol/B2: 2.57738	Sterimol/B3: 3.79483
Sterimol/B4: 7.26946	Sterimol/L: 14.6103

Surface and Volume Properties
Accessible surface: 477.161	Positive charged surface: 377.65	Negative charged surface: 99.5115	Volume: 237.5
Hydrophobic surface: 277.832	Hydrophilic surface: 199.329

Pharmacophoric Properties
Hydrogen bond donors: 1	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.