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MMsINC code: MMs02313762

Type: Neutral
Formula: C₁₄H₂₀N₂O₃

SMILES:

O1CCN(CC1)C(=O)C(N)Cc1ccc(OC)cc1

InChI:

InChI=1/C14H20N2O3/c1-18-12-4-2-11(3-5-12)10-13(15)14(17)16-6-8-19-9-7-16/h2-5,13H,6-10,15H2,1H3/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.2446 kcal/mol

Physical Properties
Molecular Weight: 264.325 g/mol	logS: -1.51971	SlogP: 0.42377	Reactive groups: 0

Topological Properties
Globularity: 0.0468327	Sterimol/B1: 3.03699	Sterimol/B2: 3.08992	Sterimol/B3: 3.311
Sterimol/B4: 5.9082	Sterimol/L: 16.0708

Surface and Volume Properties
Accessible surface: 498.147	Positive charged surface: 375.549	Negative charged surface: 122.597	Volume: 261.5
Hydrophobic surface: 402.614	Hydrophilic surface: 95.533

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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

MMs02313763
NCID-ZINC01679150