MMsINC Database Search


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MMsINC code: MMs00783142

Type: Neutral
Formula: C₁₁H₁₈N₂O₂

SMILES:

o1nc(cc1C)C(=O)NC(C(C)(C)C)C

InChI:

InChI=1/C11H18N2O2/c1-7-6-9(13-15-7)10(14)12-8(2)11(3,4)5/h6,8H,1-5H3,(H,12,14)/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.6777 kcal/mol

Physical Properties
Molecular Weight: 210.277 g/mol	logS: -1.9034	SlogP: 2.14742	Reactive groups: 0

Topological Properties
Globularity: 0.0860239	Sterimol/B1: 3.4001	Sterimol/B2: 3.57207	Sterimol/B3: 3.61741
Sterimol/B4: 4.37943	Sterimol/L: 14.0577

Surface and Volume Properties
Accessible surface: 440.901	Positive charged surface: 258.678	Negative charged surface: 182.223	Volume: 217
Hydrophobic surface: 310.356	Hydrophilic surface: 130.545

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.