MMsINC Database Search


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MMsINC code: MMs02639458

Type: Neutral
Formula: C₁₄H₂₀N₂O₂

SMILES:

O=[N+]([O-])c1ccc(cc1)CN1CCCCCCC1

InChI:

InChI=1/C14H20N2O2/c17-16(18)14-8-6-13(7-9-14)12-15-10-4-2-1-3-5-11-15/h6-9H,1-5,10-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.102 kcal/mol

Physical Properties
Molecular Weight: 248.326 g/mol	logS: -3.5177	SlogP: 3.6273	Reactive groups: 0

Topological Properties
Globularity: 0.20766	Sterimol/B1: 2.99021	Sterimol/B2: 3.53501	Sterimol/B3: 4.55919
Sterimol/B4: 5.60842	Sterimol/L: 13.2826

Surface and Volume Properties
Accessible surface: 460.719	Positive charged surface: 288.599	Negative charged surface: 172.12	Volume: 247.625
Hydrophobic surface: 371.819	Hydrophilic surface: 88.9

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

MMs02639459
PUBCHEM-ZINC00207030