MMsINC Database Search


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MMsINC code: MMs00699157

Type: Neutral
Formula: C₁₄H₁₄N₂O

SMILES:

O=C(NC(c1ccccc1)c1ccccc1)N

InChI:

InChI=1/C14H14N2O/c15-14(17)16-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H3,15,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=17.0764 kcal/mol

Physical Properties
Molecular Weight: 226.279 g/mol	logS: -3.24612	SlogP: 2.5398	Reactive groups: 0

Topological Properties
Globularity: 0.31169	Sterimol/B1: 2.22017	Sterimol/B2: 3.43774	Sterimol/B3: 4.33408
Sterimol/B4: 8.19603	Sterimol/L: 11.4823

Surface and Volume Properties
Accessible surface: 453.049	Positive charged surface: 260.59	Negative charged surface: 192.46	Volume: 228.5
Hydrophobic surface: 338.622	Hydrophilic surface: 114.427

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.