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MMsINC code: MMs03214140

Type: Neutral
Formula: C₁₄H₁₉N

SMILES:

N1(CCC(CC1)c1ccccc1)CC=C

InChI:

InChI=1/C14H19N/c1-2-10-15-11-8-14(9-12-15)13-6-4-3-5-7-13/h2-7,14H,1,8-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.8889 kcal/mol

Physical Properties
Molecular Weight: 201.313 g/mol	logS: -2.24097	SlogP: 3.052	Reactive groups: 0

Topological Properties
Globularity: 0.10134	Sterimol/B1: 2.8023	Sterimol/B2: 3.3462	Sterimol/B3: 3.72506
Sterimol/B4: 4.82797	Sterimol/L: 14.6216

Surface and Volume Properties
Accessible surface: 449.495	Positive charged surface: 304.9	Negative charged surface: 144.595	Volume: 227.5
Hydrophobic surface: 387.925	Hydrophilic surface: 61.57

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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

MMs03214141
PUBCHEM-ZINC05157756