MMsINC Database Search


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MMsINC code: MMs02341556

Type: Neutral
Formula: C₁₅H₂₃NO

SMILES:

OC1(CCCCCC1)c1ccccc1N(C)C

InChI:

InChI=1/C15H23NO/c1-16(2)14-10-6-5-9-13(14)15(17)11-7-3-4-8-12-15/h5-6,9-10,17H,3-4,7-8,11-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.138 kcal/mol

Physical Properties
Molecular Weight: 233.355 g/mol	logS: -3.06967	SlogP: 3.6059	Reactive groups: 0

Topological Properties
Globularity: 0.251286	Sterimol/B1: 2.4423	Sterimol/B2: 2.76198	Sterimol/B3: 5.40124
Sterimol/B4: 7.02739	Sterimol/L: 12.0128

Surface and Volume Properties
Accessible surface: 446.346	Positive charged surface: 342.912	Negative charged surface: 103.433	Volume: 253.875
Hydrophobic surface: 428.821	Hydrophilic surface: 17.525

Pharmacophoric Properties
Hydrogen bond donors: 1	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.