MMsINC Database Search


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MMsINC code: MMs00124977

Type: Neutral
Formula: C₁₀H₁₄N₆O₃

SMILES:

O=C1N(C)C(=O)N(c2ncn(c12)CCC(=O)NN)C

InChI:

InChI=1/C10H14N6O3/c1-14-8-7(9(18)15(2)10(14)19)16(5-12-8)4-3-6(17)13-11/h5H,3-4,11H2,1-2H3,(H,13,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=7.19348 kcal/mol

Physical Properties
Molecular Weight: 266.261 g/mol	logS: -0.82874	SlogP: -0.8287	Reactive groups: 0

Topological Properties
Globularity: 0.0588215	Sterimol/B1: 2.56598	Sterimol/B2: 3.45916	Sterimol/B3: 3.74271
Sterimol/B4: 6.38675	Sterimol/L: 14.6591

Surface and Volume Properties
Accessible surface: 473.276	Positive charged surface: 367.412	Negative charged surface: 105.864	Volume: 232.25
Hydrophobic surface: 249.67	Hydrophilic surface: 223.606

Pharmacophoric Properties
Hydrogen bond donors: 2	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.