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MMsINC code: MMs03034167

Type: Neutral
Formula: C₁₀H₁₄N₂O₂

SMILES:

Oc1ccc(cc1)CC(N)C(=O)NC

InChI:

InChI=1/C10H14N2O2/c1-12-10(14)9(11)6-7-2-4-8(13)5-3-7/h2-5,9,13H,6,11H2,1H3,(H,12,14)/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.5071 kcal/mol

Physical Properties
Molecular Weight: 194.234 g/mol	logS: -0.92189	SlogP: 0.00797	Reactive groups: 0

Topological Properties
Globularity: 0.0525178	Sterimol/B1: 2.86905	Sterimol/B2: 3.15229	Sterimol/B3: 3.22885
Sterimol/B4: 4.50071	Sterimol/L: 13.7222

Surface and Volume Properties
Accessible surface: 418.799	Positive charged surface: 296.827	Negative charged surface: 121.972	Volume: 192.125
Hydrophobic surface: 274.101	Hydrophilic surface: 144.698

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs03034168
PUBCHEM-ZINC03651545