MMsINC Database Search


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MMsINC code: MMs02792265

Type: Neutral
Formula: C₁₄H₁₃NO₂

SMILES:

O=C(NO)c1ccccc1-c1cc(ccc1)C

InChI:

InChI=1/C14H13NO2/c1-10-5-4-6-11(9-10)12-7-2-3-8-13(12)14(16)15-17/h2-9,17H,1H3,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.9505 kcal/mol

Physical Properties
Molecular Weight: 227.263 g/mol	logS: -4.34069	SlogP: 2.78102	Reactive groups: 0

Topological Properties
Globularity: 0.122821	Sterimol/B1: 2.46119	Sterimol/B2: 4.67275	Sterimol/B3: 4.83418
Sterimol/B4: 5.67795	Sterimol/L: 12.2214

Surface and Volume Properties
Accessible surface: 441.756	Positive charged surface: 252.259	Negative charged surface: 187.414	Volume: 222.75
Hydrophobic surface: 341.204	Hydrophilic surface: 100.552

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	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

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Ions/Tautomers related molecules: no related molecules available.