MMsINC Database Search


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MMsINC code: MMs03783876

Type: Neutral
Formula: C₁₄H₁₄N₂O₂-2

SMILES:

Oc1ccc(cc1)C([NH-])C([NH-])c1ccc(O)cc1

InChI:

InChI=1/C14H14N2O2/c15-13(9-1-5-11(17)6-2-9)14(16)10-3-7-12(18)8-4-10/h1-8,13-18H/q-2/t13-,14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.061 kcal/mol

Physical Properties
Molecular Weight: 242.278 g/mol	logS: -1.83394	SlogP: 2.637	Reactive groups: 0

Topological Properties
Globularity: 0.0406664	Sterimol/B1: 2.41034	Sterimol/B2: 2.94107	Sterimol/B3: 4.07905
Sterimol/B4: 4.76933	Sterimol/L: 15.4176

Surface and Volume Properties
Accessible surface: 460.916	Positive charged surface: 251.599	Negative charged surface: 209.317	Volume: 233.875
Hydrophobic surface: 295.82	Hydrophilic surface: 165.096

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 2	Acid groups: 2	Basic groups: 0
Chiral centers: 2

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.