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MMsINC code: MMs02248598

Type: Neutral
Formula: C₁₀H₁₄N₂O₂

SMILES:

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

InChI:

InChI=1/C10H14N2O2/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H2,12,13)/t9-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.766 kcal/mol

Physical Properties
Molecular Weight: 194.234 g/mol	logS: -1.44021	SlogP: 0.05027	Reactive groups: 0

Topological Properties
Globularity: 0.0526711	Sterimol/B1: 2.78858	Sterimol/B2: 3.29709	Sterimol/B3: 3.31785
Sterimol/B4: 4.49814	Sterimol/L: 14.0299

Surface and Volume Properties
Accessible surface: 413.686	Positive charged surface: 290.905	Negative charged surface: 122.781	Volume: 192.375
Hydrophobic surface: 255.844	Hydrophilic surface: 157.842

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02248599
NCID-ZINC01594214