MMsINC Database Search


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MMsINC code: MMs02878951

Type: Neutral
Formula: C₁₁H₁₇N

SMILES:

Nc1c(C)c(ccc1C)C(C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.6816 kcal/mol

Physical Properties
Molecular Weight: 163.264 g/mol	logS: -2.93106	SlogP: 3.00904	Reactive groups: 0

Topological Properties
Globularity: 0.123676	Sterimol/B1: 3.19621	Sterimol/B2: 3.55918	Sterimol/B3: 3.6641
Sterimol/B4: 5.51922	Sterimol/L: 10.9

Surface and Volume Properties
Accessible surface: 381.053	Positive charged surface: 257.745	Negative charged surface: 123.308	Volume: 189.625
Hydrophobic surface: 298.696	Hydrophilic surface: 82.357

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.