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MMsINC code: MMs02643226

Type: Ionized
Formula: C₁₄H₁₃N₂O₂-

SMILES:

O=C([O-])c1cc(N)c(NCc2ccccc2)cc1

InChI:

InChI=1/C14H14N2O2/c15-12-8-11(14(17)18)6-7-13(12)16-9-10-4-2-1-3-5-10/h1-8,16H,9,15H2,(H,17,18)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.4792 kcal/mol

Physical Properties
Molecular Weight: 241.27 g/mol	logS: -2.89997	SlogP: 1.5108	Reactive groups: 0

Topological Properties
Globularity: 0.0663797	Sterimol/B1: 3.64011	Sterimol/B2: 3.64276	Sterimol/B3: 4.1696
Sterimol/B4: 4.19212	Sterimol/L: 15.6734

Surface and Volume Properties
Accessible surface: 471.201	Positive charged surface: 257.251	Negative charged surface: 213.95	Volume: 236.125
Hydrophobic surface: 318.708	Hydrophilic surface: 152.493

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

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Parent related molecule:

MMs02643225
PUBCHEM-ZINC00235945