MMsINC Database Search


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MMsINC code: MMs03450908

Type: Neutral
Formula: C₁₀H₂₁N

SMILES:

NC1C(CCCC1CC)CC

InChI:

InChI=1/C10H21N/c1-3-8-6-5-7-9(4-2)10(8)11/h8-10H,3-7,11H2,1-2H3/t8-,9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.1283 kcal/mol

Physical Properties
Molecular Weight: 155.285 g/mol	logS: -2.18702	SlogP: 2.55	Reactive groups: 0

Topological Properties
Globularity: 0.218046	Sterimol/B1: 2.49791	Sterimol/B2: 3.84065	Sterimol/B3: 4.34269
Sterimol/B4: 4.84493	Sterimol/L: 11.1995

Surface and Volume Properties
Accessible surface: 366.705	Positive charged surface: 277.067	Negative charged surface: 89.6385	Volume: 185.125
Hydrophobic surface: 279.951	Hydrophilic surface: 86.754

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs03450909
PUBCHEM-ZINC05932963