MMsINC Database Search


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MMsINC code: MMs03018129

Type: Neutral
Formula: C₇H₁₂N₄

SMILES:

N(C(NN)N)c1ccccc1

InChI:

InChI=1/C7H12N4/c8-7(11-9)10-6-4-2-1-3-5-6/h1-5,7,10-11H,8-9H2/t7-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=17.7427 kcal/mol

Physical Properties
Molecular Weight: 152.201 g/mol	logS: 0.01952	SlogP: -0.1959	Reactive groups: 0

Topological Properties
Globularity: 0.0682991	Sterimol/B1: 2.89952	Sterimol/B2: 3.43049	Sterimol/B3: 3.46732
Sterimol/B4: 4.39161	Sterimol/L: 11.8711

Surface and Volume Properties
Accessible surface: 358.648	Positive charged surface: 235.197	Negative charged surface: 123.45	Volume: 156.375
Hydrophobic surface: 196.246	Hydrophilic surface: 162.402

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.