MMsINC Database Search


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MMsINC code: MMs02552778

Type: Neutral
Formula: C₁₀H₂₀N₂

SMILES:

N1CC(N2CCC(CC2)C)CC1

InChI:

InChI=1/C10H20N2/c1-9-3-6-12(7-4-9)10-2-5-11-8-10/h9-11H,2-8H2,1H3/t10-/m1/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.5443 kcal/mol

Physical Properties
Molecular Weight: 168.284 g/mol	logS: -0.87535	SlogP: 1.0802	Reactive groups: 0

Topological Properties
Globularity: 0.131655	Sterimol/B1: 2.91461	Sterimol/B2: 3.12892	Sterimol/B3: 3.7268
Sterimol/B4: 4.26145	Sterimol/L: 12.1828

Surface and Volume Properties
Accessible surface: 382.965	Positive charged surface: 328.272	Negative charged surface: 54.6935	Volume: 190.625
Hydrophobic surface: 325.232	Hydrophilic surface: 57.733

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

MMs02552780
OAKWOOD-ZINC04299187