MMsINC Database Search


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MMsINC code: MMs00269220

Type: Neutral
Formula: C₁₄H₂₀N₄

SMILES:

n1c2c(n(C)c1CN1CCN(CC1)C)cccc2

InChI:

InChI=1/C14H20N4/c1-16-7-9-18(10-8-16)11-14-15-12-5-3-4-6-13(12)17(14)2/h3-6H,7-11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.9368 kcal/mol

Physical Properties
Molecular Weight: 244.342 g/mol	logS: -1.44859	SlogP: 1.9463	Reactive groups: 0

Topological Properties
Globularity: 0.0987392	Sterimol/B1: 2.11704	Sterimol/B2: 2.82711	Sterimol/B3: 4.5434
Sterimol/B4: 6.54165	Sterimol/L: 14.7916

Surface and Volume Properties
Accessible surface: 490.274	Positive charged surface: 397.868	Negative charged surface: 92.4059	Volume: 256.875
Hydrophobic surface: 464.172	Hydrophilic surface: 26.102

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs00269222
ASINEX-ZINC02331323