MMsINC Database Search


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MMsINC code: MMs00054754

Type: Neutral
Formula: C₁₀H₂₁N₃

SMILES:

N1CCN(CC1)C1CCN(CC1)C

InChI:

InChI=1/C10H21N3/c1-12-6-2-10(3-7-12)13-8-4-11-5-9-13/h10-11H,2-9H2,1H3


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.0766 kcal/mol

Physical Properties
Molecular Weight: 183.299 g/mol	logS: 0.14552	SlogP: -0.0142	Reactive groups: 0

Topological Properties
Globularity: 0.117998	Sterimol/B1: 2.56868	Sterimol/B2: 3.29366	Sterimol/B3: 3.36711
Sterimol/B4: 3.65709	Sterimol/L: 12.4008

Surface and Volume Properties
Accessible surface: 398.986	Positive charged surface: 377.951	Negative charged surface: 21.0351	Volume: 201.25
Hydrophobic surface: 362.694	Hydrophilic surface: 36.292

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

MMs00054756
APOLLO-ZINC02572557