MMsINC Database Search


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MMsINC code: MMs00707900

Type: Neutral
Formula: C₁₄H₂₀N₂O₂

SMILES:

O=C(Nc1ccc(cc1)C)C(=O)NCCC(C)C

InChI:

InChI=1/C14H20N2O2/c1-10(2)8-9-15-13(17)14(18)16-12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,15,17)(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.6263 kcal/mol

Physical Properties
Molecular Weight: 248.326 g/mol	logS: -3.79288	SlogP: 2.09582	Reactive groups: 0

Topological Properties
Globularity: 0.018199	Sterimol/B1: 2.81604	Sterimol/B2: 2.89546	Sterimol/B3: 3.26627
Sterimol/B4: 4.85922	Sterimol/L: 18.2456

Surface and Volume Properties
Accessible surface: 533.447	Positive charged surface: 351.084	Negative charged surface: 182.363	Volume: 258.125
Hydrophobic surface: 393.061	Hydrophilic surface: 140.386

Pharmacophoric Properties
Hydrogen bond donors: 2	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.