MMsINC Database Search


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MMsINC code: MMs03079960

Type: Neutral
Formula: C₁₆H₁₄N₂O₂

SMILES:

O=C1N(NC(=O)c2c1cccc2)CCc1ccccc1

InChI:

InChI=1/C16H14N2O2/c19-15-13-8-4-5-9-14(13)16(20)18(17-15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.187 kcal/mol

Physical Properties
Molecular Weight: 266.3 g/mol	logS: -3.66128	SlogP: 2.02987	Reactive groups: 0

Topological Properties
Globularity: 0.0182729	Sterimol/B1: 2.73639	Sterimol/B2: 2.74499	Sterimol/B3: 3.8162
Sterimol/B4: 5.10036	Sterimol/L: 16.3849

Surface and Volume Properties
Accessible surface: 489.804	Positive charged surface: 269.935	Negative charged surface: 219.869	Volume: 255
Hydrophobic surface: 397.781	Hydrophilic surface: 92.023

Pharmacophoric Properties
Hydrogen bond donors: 1	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.