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MMsINC code: MMs03674113

Type: Neutral
Formula: C₁₄H₂₀N₂O₃

SMILES:

OC(Cc1ccc([N+](=O)[O-])cc1)CN1CCCCC1

InChI:

InChI=1/C14H20N2O3/c17-14(11-15-8-2-1-3-9-15)10-12-4-6-13(7-5-12)16(18)19/h4-7,14,17H,1-3,8-11H2/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.1575 kcal/mol

Physical Properties
Molecular Weight: 264.325 g/mol	logS: -2.65964	SlogP: 1.98407	Reactive groups: 0

Topological Properties
Globularity: 0.0762754	Sterimol/B1: 2.41429	Sterimol/B2: 3.0931	Sterimol/B3: 4.01063
Sterimol/B4: 5.45845	Sterimol/L: 15.7834

Surface and Volume Properties
Accessible surface: 509.179	Positive charged surface: 323.7	Negative charged surface: 185.479	Volume: 259.125
Hydrophobic surface: 391.935	Hydrophilic surface: 117.244

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs03674114
PUBCHEM-ZINC06322154