MMsINC Database Search


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MMsINC code: MMs02901628

Type: Neutral
Formula: C₁₀H₁₅N

SMILES:

N(CC(C)C)c1ccccc1

InChI:

InChI=1/C10H15N/c1-9(2)8-11-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.9506 kcal/mol

Physical Properties
Molecular Weight: 149.237 g/mol	logS: -1.91209	SlogP: 2.7545	Reactive groups: 0

Topological Properties
Globularity: 0.0528025	Sterimol/B1: 2.44998	Sterimol/B2: 2.59097	Sterimol/B3: 3.56388
Sterimol/B4: 5.01359	Sterimol/L: 12.4946

Surface and Volume Properties
Accessible surface: 379.185	Positive charged surface: 247.831	Negative charged surface: 131.354	Volume: 173.625
Hydrophobic surface: 325.979	Hydrophilic surface: 53.206

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.