MMsINC Database Search


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MMsINC code: MMs02226109

Type: Neutral
Formula: C₁₀H₁₄N₂O₂

SMILES:

OC(C(=O)N)c1ccc(N(C)C)cc1

InChI:

InChI=1/C10H14N2O2/c1-12(2)8-5-3-7(4-6-8)9(13)10(11)14/h3-6,9,13H,1-2H3,(H2,11,14)/t9-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.8786 kcal/mol

Physical Properties
Molecular Weight: 194.234 g/mol	logS: -1.36187	SlogP: 0.3668	Reactive groups: 0

Topological Properties
Globularity: 0.086175	Sterimol/B1: 2.31738	Sterimol/B2: 3.06142	Sterimol/B3: 3.47651
Sterimol/B4: 4.94309	Sterimol/L: 11.9557

Surface and Volume Properties
Accessible surface: 401.176	Positive charged surface: 284.625	Negative charged surface: 116.552	Volume: 192.125
Hydrophobic surface: 261.185	Hydrophilic surface: 139.991

Pharmacophoric Properties
Hydrogen bond donors: 2	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.