MMsINC Database Search


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MMsINC code: MMs01735301

Type: Neutral
Formula: C₁₄H₁₈N₂O₃

SMILES:

O(C(C)C)c1ccc(cc1)C1(NC(=O)N(C)C1=O)C

InChI:

InChI=1/C14H18N2O3/c1-9(2)19-11-7-5-10(6-8-11)14(3)12(17)16(4)13(18)15-14/h5-9H,1-4H3,(H,15,18)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.7562 kcal/mol

Physical Properties
Molecular Weight: 262.309 g/mol	logS: -2.8344	SlogP: 2.1821	Reactive groups: 0

Topological Properties
Globularity: 0.0938728	Sterimol/B1: 3.64474	Sterimol/B2: 3.98564	Sterimol/B3: 4.07083
Sterimol/B4: 4.67193	Sterimol/L: 14.449

Surface and Volume Properties
Accessible surface: 496.58	Positive charged surface: 329.802	Negative charged surface: 166.778	Volume: 252.625
Hydrophobic surface: 344.755	Hydrophilic surface: 151.825

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.