MMsINC Database Search


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MMsINC code: MMs02881108

Type: Neutral
Formula: C₁₅H₂₅NO

SMILES:

O(C)c1cc(N(CCCC)CCCC)ccc1

InChI:

InChI=1/C15H25NO/c1-4-6-11-16(12-7-5-2)14-9-8-10-15(13-14)17-3/h8-10,13H,4-7,11-12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.6448 kcal/mol

Physical Properties
Molecular Weight: 235.371 g/mol	logS: -3.45107	SlogP: 4.1018	Reactive groups: 0

Topological Properties
Globularity: 0.0938618	Sterimol/B1: 2.37083	Sterimol/B2: 3.42645	Sterimol/B3: 3.86166
Sterimol/B4: 9.13404	Sterimol/L: 14.8249

Surface and Volume Properties
Accessible surface: 533.64	Positive charged surface: 402.461	Negative charged surface: 131.179	Volume: 268.5
Hydrophobic surface: 466.926	Hydrophilic surface: 66.714

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.