MMsINC Database Search


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MMsINC code: MMs03127630

Type: Neutral
Formula: C₁₅H₂₃N

SMILES:

n1c(cc(cc1C(C)(C)C)C=C)C(C)(C)C

InChI:

InChI=1/C15H23N/c1-8-11-9-12(14(2,3)4)16-13(10-11)15(5,6)7/h8-10H,1H2,2-7H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.9328 kcal/mol

Physical Properties
Molecular Weight: 217.356 g/mol	logS: -3.06083	SlogP: 4.3196	Reactive groups: 0

Topological Properties
Globularity: 0.152998	Sterimol/B1: 2.21154	Sterimol/B2: 4.47375	Sterimol/B3: 4.99904
Sterimol/B4: 6.82375	Sterimol/L: 11.5415

Surface and Volume Properties
Accessible surface: 474.856	Positive charged surface: 306.34	Negative charged surface: 168.516	Volume: 255
Hydrophobic surface: 335.074	Hydrophilic surface: 139.782

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: no related molecules available.