MMsINC Database Search


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MMsINC code: MMs02420201

Type: Neutral
Formula: C₁₀H₂₀N+

SMILES:

[NH2+]1CCC2(CC(CC2)C)CC1

InChI:

InChI=1/C10H19N/c1-9-2-3-10(8-9)4-6-11-7-5-10/h9,11H,2-8H2,1H3/p+1/t9-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.6827 kcal/mol

Physical Properties
Molecular Weight: 154.277 g/mol	logS: -2.5613	SlogP: 1.15	Reactive groups: 0

Topological Properties
Globularity: 0.260743	Sterimol/B1: 2.42765	Sterimol/B2: 3.64633	Sterimol/B3: 3.64762
Sterimol/B4: 5.14023	Sterimol/L: 10.7317

Surface and Volume Properties
Accessible surface: 366.536	Positive charged surface: 322.571	Negative charged surface: 43.9656	Volume: 181
Hydrophobic surface: 290.902	Hydrophilic surface: 75.634

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 1
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

search links for this molecule:

Ions/Tautomers related molecules

MMs02420202
NCID-ZINC04963561