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MMsINC code: MMs02210997

Type: Neutral
Formula: C₁₂H₂₄N₄O₂

SMILES:

O=C(N)CCN1CCN(CC1)C(=O)N(CC)CC

InChI:

InChI=1/C12H24N4O2/c1-3-15(4-2)12(18)16-9-7-14(8-10-16)6-5-11(13)17/h3-10H2,1-2H3,(H2,13,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.573 kcal/mol

Physical Properties
Molecular Weight: 256.35 g/mol	logS: -0.25398	SlogP: -0.0588	Reactive groups: 0

Topological Properties
Globularity: 0.0491713	Sterimol/B1: 2.91032	Sterimol/B2: 3.17846	Sterimol/B3: 3.23844
Sterimol/B4: 5.79356	Sterimol/L: 16.5252

Surface and Volume Properties
Accessible surface: 497.795	Positive charged surface: 393.516	Negative charged surface: 104.279	Volume: 258.375
Hydrophobic surface: 319.098	Hydrophilic surface: 178.697

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

MMs02210998
NANOSIN-ZINC04746565