MMsINC Database Search


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MMsINC code: MMs03307018

Type: Neutral
Formula: C₁₀H₂₁N

SMILES:

NC1CCCCC1C(C)(C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.9451 kcal/mol

Physical Properties
Molecular Weight: 155.285 g/mol	logS: -2.50047	SlogP: 2.55	Reactive groups: 0

Topological Properties
Globularity: 0.247208	Sterimol/B1: 2.22725	Sterimol/B2: 3.08078	Sterimol/B3: 3.82277
Sterimol/B4: 5.95223	Sterimol/L: 10.1762

Surface and Volume Properties
Accessible surface: 355.828	Positive charged surface: 275.651	Negative charged surface: 80.177	Volume: 184.25
Hydrophobic surface: 268.537	Hydrophilic surface: 87.291

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

MMs03307019
PUBCHEM-ZINC05559855