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MMsINC code: MMs00746885

Type: Neutral
Formula: C₁₄H₂₀N₂O₂

SMILES:

O=C(Nc1cc(C)c(cc1)C)C(=O)NCCCC

InChI:

InChI=1/C14H20N2O2/c1-4-5-8-15-13(17)14(18)16-12-7-6-10(2)11(3)9-12/h6-7,9H,4-5,8H2,1-3H3,(H,15,17)(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.1413 kcal/mol

Physical Properties
Molecular Weight: 248.326 g/mol	logS: -3.75158	SlogP: 2.15824	Reactive groups: 0

Topological Properties
Globularity: 0.0188349	Sterimol/B1: 2.51962	Sterimol/B2: 3.23878	Sterimol/B3: 3.43386
Sterimol/B4: 4.48534	Sterimol/L: 18.067

Surface and Volume Properties
Accessible surface: 529.274	Positive charged surface: 355.576	Negative charged surface: 173.698	Volume: 257.125
Hydrophobic surface: 405.827	Hydrophilic surface: 123.447

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.