MMsINC Database Search


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MMsINC code: MMs00089900

Type: Neutral
Formula: C₁₄H₁₈N₂O₃

SMILES:

O(C)c1ccc(cc1)C(=O)N1CCC(CC1)C(=O)N

InChI:

InChI=1/C14H18N2O3/c1-19-12-4-2-11(3-5-12)14(18)16-8-6-10(7-9-16)13(15)17/h2-5,10H,6-9H2,1H3,(H2,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.1138 kcal/mol

Physical Properties
Molecular Weight: 262.309 g/mol	logS: -2.06282	SlogP: 1.0327	Reactive groups: 0

Topological Properties
Globularity: 0.0739515	Sterimol/B1: 2.3371	Sterimol/B2: 3.41634	Sterimol/B3: 3.60152
Sterimol/B4: 6.07096	Sterimol/L: 15.7126

Surface and Volume Properties
Accessible surface: 484.836	Positive charged surface: 346.541	Negative charged surface: 138.295	Volume: 252.75
Hydrophobic surface: 342.072	Hydrophilic surface: 142.764

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.