MMsINC Database Search


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MMsINC code: MMs03086930

Type: Neutral
Formula: C₁₅H₂₃NO₂

SMILES:

O(C)c1cc(NCC2CCCCC2)ccc1OC

InChI:

InChI=1/C15H23NO2/c1-17-14-9-8-13(10-15(14)18-2)16-11-12-6-4-3-5-7-12/h8-10,12,16H,3-7,11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.9537 kcal/mol

Physical Properties
Molecular Weight: 249.354 g/mol	logS: -3.45647	SlogP: 3.696	Reactive groups: 0

Topological Properties
Globularity: 0.0391128	Sterimol/B1: 2.0474	Sterimol/B2: 2.83766	Sterimol/B3: 3.40947
Sterimol/B4: 7.4893	Sterimol/L: 15.9792

Surface and Volume Properties
Accessible surface: 520.312	Positive charged surface: 423.307	Negative charged surface: 97.0048	Volume: 265.875
Hydrophobic surface: 491.492	Hydrophilic surface: 28.82

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.