MMsINC Database Search


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MMsINC code: MMs02792561

Type: Neutral
Formula: C₁₄H₁₄N₂O₂

SMILES:

O=C(NO)c1ccc(cc1)-c1ccccc1NC

InChI:

InChI=1/C14H14N2O2/c1-15-13-5-3-2-4-12(13)10-6-8-11(9-7-10)14(17)16-18/h2-9,15,18H,1H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.5491 kcal/mol

Physical Properties
Molecular Weight: 242.278 g/mol	logS: -3.66323	SlogP: 2.5143	Reactive groups: 0

Topological Properties
Globularity: 0.048701	Sterimol/B1: 2.33363	Sterimol/B2: 2.39442	Sterimol/B3: 3.38884
Sterimol/B4: 7.25687	Sterimol/L: 14.889

Surface and Volume Properties
Accessible surface: 469.411	Positive charged surface: 282.021	Negative charged surface: 183.498	Volume: 235.875
Hydrophobic surface: 339.123	Hydrophilic surface: 130.288

Pharmacophoric Properties
Hydrogen bond donors: 3	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.