MMsINC Database Search


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MMsINC code: MMs00600867

Type: Neutral
Formula: C₁₆H₂₄N₂O₂

SMILES:

O=C(Nc1ccc(NC(=O)C(C)(C)C)cc1)C(C)(C)C

InChI:

InChI=1/C16H24N2O2/c1-15(2,3)13(19)17-11-7-9-12(10-8-11)18-14(20)16(4,5)6/h7-10H,1-6H3,(H,17,19)(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.7748 kcal/mol

Physical Properties
Molecular Weight: 276.38 g/mol	logS: -3.0144	SlogP: 3.6558	Reactive groups: 0

Topological Properties
Globularity: 0.0496093	Sterimol/B1: 2.26874	Sterimol/B2: 2.99593	Sterimol/B3: 4.05105
Sterimol/B4: 6.02116	Sterimol/L: 16.209

Surface and Volume Properties
Accessible surface: 555.958	Positive charged surface: 360.775	Negative charged surface: 195.183	Volume: 292.625
Hydrophobic surface: 401.928	Hydrophilic surface: 154.03

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.