MMsINC Database Search


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MMsINC code: MMs02340724

Type: Neutral
Formula: C₁₅H₁₄N₂O

SMILES:

O=C1Nc2c(cc(N(C)C)cc2)-c2c1cccc2

InChI:

InChI=1/C15H14N2O/c1-17(2)10-7-8-14-13(9-10)11-5-3-4-6-12(11)15(18)16-14/h3-9H,1-2H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.5272 kcal/mol

Physical Properties
Molecular Weight: 238.29 g/mol	logS: -4.06316	SlogP: 2.9853	Reactive groups: 0

Topological Properties
Globularity: 0.0102808	Sterimol/B1: 2.51317	Sterimol/B2: 2.514	Sterimol/B3: 4.80318
Sterimol/B4: 4.94109	Sterimol/L: 13.4021

Surface and Volume Properties
Accessible surface: 449.136	Positive charged surface: 293.097	Negative charged surface: 145.137	Volume: 239
Hydrophobic surface: 381.498	Hydrophilic surface: 67.638

Pharmacophoric Properties
Hydrogen bond donors: 1	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.