MMsINC Database Search


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MMsINC code: MMs03286355

Type: Neutral
Formula: C₁₄H₂₀N₂O₂

SMILES:

O=C(Nc1cc(NC(=O)C)ccc1)CC(C)(C)C

InChI:

InChI=1/C14H20N2O2/c1-10(17)15-11-6-5-7-12(8-11)16-13(18)9-14(2,3)4/h5-8H,9H2,1-4H3,(H,15,17)(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.7673 kcal/mol

Physical Properties
Molecular Weight: 248.326 g/mol	logS: -3.55121	SlogP: 3.0197	Reactive groups: 0

Topological Properties
Globularity: 0.0602527	Sterimol/B1: 2.27261	Sterimol/B2: 3.46377	Sterimol/B3: 3.55686
Sterimol/B4: 7.68653	Sterimol/L: 14.5384

Surface and Volume Properties
Accessible surface: 505.063	Positive charged surface: 335.963	Negative charged surface: 169.1	Volume: 255
Hydrophobic surface: 372.094	Hydrophilic surface: 132.969

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.