MMsINC Database Search


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MMsINC code: MMs02858270

Type: Neutral
Formula: C₁₅H₂₅NO

SMILES:

OCCCCCCCCCCc1ccncc1

InChI:

InChI=1/C15H25NO/c17-14-8-6-4-2-1-3-5-7-9-15-10-12-16-13-11-15/h10-13,17H,1-9,14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.5158 kcal/mol

Physical Properties
Molecular Weight: 235.371 g/mol	logS: -3.76754	SlogP: 3.73717	Reactive groups: 0

Topological Properties
Globularity: 0.0343195	Sterimol/B1: 2.43149	Sterimol/B2: 2.91238	Sterimol/B3: 3.26575
Sterimol/B4: 4.81311	Sterimol/L: 19.9709

Surface and Volume Properties
Accessible surface: 568.263	Positive charged surface: 461.662	Negative charged surface: 106.601	Volume: 268.25
Hydrophobic surface: 498.474	Hydrophilic surface: 69.789

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.