MMsINC Database Search


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MMsINC code: MMs02888764

Type: Neutral
Formula: C₁₅H₂₅N

SMILES:

Nc1c(cc(cc1C(C)C)C(C)C)C(C)C

InChI:

InChI=1/C15H25N/c1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6/h7-11H,16H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.5243 kcal/mol

Physical Properties
Molecular Weight: 219.372 g/mol	logS: -4.99194	SlogP: 4.639	Reactive groups: 0

Topological Properties
Globularity: 0.221024	Sterimol/B1: 2.36762	Sterimol/B2: 2.57041	Sterimol/B3: 4.96008
Sterimol/B4: 7.59127	Sterimol/L: 11.0887

Surface and Volume Properties
Accessible surface: 486.896	Positive charged surface: 350.955	Negative charged surface: 135.94	Volume: 258.625
Hydrophobic surface: 328.176	Hydrophilic surface: 158.72

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.