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NCID-ZINC01555228

MMsINC code: MMs02218991

Type: Neutral
Formula: C₁₁H₂₃N

SMILES:

N1CCCCC1CCCCCC

InChI:

InChI=1/C11H23N/c1-2-3-4-5-8-11-9-6-7-10-12-11/h11-12H,2-10H2,1H3/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-2.50977 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 169.312 g/mol	logS: -2.70149	SlogP: 3.0989	Reactive groups: 0

Topological Properties
Globularity: 0.0497425	Sterimol/B1: 2.84103	Sterimol/B2: 2.99396	Sterimol/B3: 3.48042
Sterimol/B4: 4.25761	Sterimol/L: 14.9284

Surface and Volume Properties
Accessible surface: 434.19	Positive charged surface: 366.765	Negative charged surface: 67.4241	Volume: 207.5
Hydrophobic surface: 394.871	Hydrophilic surface: 39.319

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

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Ions/Tautomers related molecules

MMs02218992
NCID-ZINC01555228