MMsINC Database Search


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MMsINC code: MMs00853343

Type: Neutral
Formula: C₁₄H₂₀N₂O₂

SMILES:

O=C(C)c1c(C)c([nH]c1C)C(=O)N1CCCCC1

InChI:

InChI=1/C14H20N2O2/c1-9-12(11(3)17)10(2)15-13(9)14(18)16-7-5-4-6-8-16/h15H,4-8H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.7754 kcal/mol

Physical Properties
Molecular Weight: 248.326 g/mol	logS: -1.56144	SlogP: 2.46024	Reactive groups: 0

Topological Properties
Globularity: 0.17121	Sterimol/B1: 2.13727	Sterimol/B2: 3.08846	Sterimol/B3: 5.3769
Sterimol/B4: 6.70844	Sterimol/L: 13.0917

Surface and Volume Properties
Accessible surface: 479.117	Positive charged surface: 320.361	Negative charged surface: 158.756	Volume: 251.375
Hydrophobic surface: 384.83	Hydrophilic surface: 94.287

Pharmacophoric Properties
Hydrogen bond donors: 1	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.