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MMsINC code: MMs00048661

Type: Neutral
Formula: C₁₀H₂₁N₃

SMILES:

N1CCC(N2CCN(CC2)C)CC1

InChI:

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


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.547 kcal/mol

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

Topological Properties
Globularity: 0.076551	Sterimol/B1: 2.76609	Sterimol/B2: 3.04045	Sterimol/B3: 3.60507
Sterimol/B4: 3.64258	Sterimol/L: 12.4327

Surface and Volume Properties
Accessible surface: 401.023	Positive charged surface: 379.358	Negative charged surface: 21.6653	Volume: 203.375
Hydrophobic surface: 368.875	Hydrophilic surface: 32.148

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

MMs00048663
APOLLO-ZINC00299460