MMsINC Database Search


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MMsINC code: MMs00120095

Type: Neutral
Formula: C₁₀H₁₄N₄O₂S

SMILES:

S(C)c1nc2N(C)C(=O)NC(=O)c2n1C(C)C

InChI:

InChI=1/C10H14N4O2S/c1-5(2)14-6-7(11-10(14)17-4)13(3)9(16)12-8(6)15/h5H,1-4H3,(H,12,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-15.0465 kcal/mol

Physical Properties
Molecular Weight: 254.314 g/mol	logS: -3.07188	SlogP: 1.581	Reactive groups: 0

Topological Properties
Globularity: 0.105652	Sterimol/B1: 2.37381	Sterimol/B2: 3.93612	Sterimol/B3: 4.8754
Sterimol/B4: 6.84846	Sterimol/L: 11.4092

Surface and Volume Properties
Accessible surface: 446.097	Positive charged surface: 294.298	Negative charged surface: 151.798	Volume: 228.25
Hydrophobic surface: 246.091	Hydrophilic surface: 200.006

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.