MMsINC Database Search


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MMsINC code: MMs02388131

Type: Neutral
Formula: C₁₀H₁₄N₆O₃

SMILES:

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

InChI:

InChI=1/C10H14N6O3/c1-5-16(12-19)9-11-7-6(13(9)2)8(17)15(4)10(18)14(7)3/h5H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=3.41299 kcal/mol

Physical Properties
Molecular Weight: 266.261 g/mol	logS: -1.84709	SlogP: 0.9288	Reactive groups: 0

Topological Properties
Globularity: 0.0891518	Sterimol/B1: 2.35072	Sterimol/B2: 3.70377	Sterimol/B3: 5.4527
Sterimol/B4: 5.77973	Sterimol/L: 12.6776

Surface and Volume Properties
Accessible surface: 468.95	Positive charged surface: 336.158	Negative charged surface: 132.793	Volume: 233.75
Hydrophobic surface: 352.466	Hydrophilic surface: 116.484

Pharmacophoric Properties
Hydrogen bond donors: 0	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.