MMsINC Database Search


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MMsINC code: MMs02259055

Type: Neutral
Formula: C₁₀H₁₈N₄

SMILES:

N(NC)Cc1ccccc1CNNC

InChI:

InChI=1/C10H18N4/c1-11-13-7-9-5-3-4-6-10(9)8-14-12-2/h3-6,11-14H,7-8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.4751 kcal/mol

Physical Properties
Molecular Weight: 194.282 g/mol	logS: 0.10268	SlogP: 0.6674	Reactive groups: 1

Topological Properties
Globularity: 0.176242	Sterimol/B1: 2.29473	Sterimol/B2: 2.82868	Sterimol/B3: 3.95549
Sterimol/B4: 9.32085	Sterimol/L: 10.933

Surface and Volume Properties
Accessible surface: 449.598	Positive charged surface: 345.652	Negative charged surface: 103.946	Volume: 212
Hydrophobic surface: 368.868	Hydrophilic surface: 80.73

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs02259056
NCID-ZINC01607233