MMsINC Database Search


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MMsINC code: MMs01063301

Type: Neutral
Formula: C₁₁H₁₇N

SMILES:

N(CCC)c1cc(ccc1C)C

InChI:

InChI=1/C11H17N/c1-4-7-12-11-8-9(2)5-6-10(11)3/h5-6,8,12H,4,7H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.1898 kcal/mol

Physical Properties
Molecular Weight: 163.264 g/mol	logS: -2.34471	SlogP: 3.12534	Reactive groups: 0

Topological Properties
Globularity: 0.035874	Sterimol/B1: 2.50864	Sterimol/B2: 2.51387	Sterimol/B3: 3.81984
Sterimol/B4: 5.89342	Sterimol/L: 12.5234

Surface and Volume Properties
Accessible surface: 410.331	Positive charged surface: 279.099	Negative charged surface: 131.231	Volume: 195.25
Hydrophobic surface: 377.167	Hydrophilic surface: 33.164

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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: no related molecules available.