MMsINC Database Search


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MMsINC code: MMs00585971

Type: Neutral
Formula: C₁₄H₁₂N₂O₂

SMILES:

O=C1N(N(C)C)C(=O)c2c3c1cccc3ccc2

InChI:

InChI=1/C14H12N2O2/c1-15(2)16-13(17)10-7-3-5-9-6-4-8-11(12(9)10)14(16)18/h3-8H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.9348 kcal/mol

Physical Properties
Molecular Weight: 240.262 g/mol	logS: -3.58548	SlogP: 1.9124	Reactive groups: 0

Topological Properties
Globularity: 0.075148	Sterimol/B1: 2.38456	Sterimol/B2: 4.76696	Sterimol/B3: 4.86224
Sterimol/B4: 5.09171	Sterimol/L: 12.1352

Surface and Volume Properties
Accessible surface: 430.682	Positive charged surface: 274.766	Negative charged surface: 145.347	Volume: 225.625
Hydrophobic surface: 376.372	Hydrophilic surface: 54.31

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.