MMsINC Database Search


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MMsINC code: MMs02344592

Type: Neutral
Formula: C₁₅H₁₄N₂O₂

SMILES:

O=C(NC(=O)Nc1ccccc1)c1ccccc1C

InChI:

InChI=1/C15H14N2O2/c1-11-7-5-6-10-13(11)14(18)17-15(19)16-12-8-3-2-4-9-12/h2-10H,1H3,(H2,16,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.3038 kcal/mol

Physical Properties
Molecular Weight: 254.289 g/mol	logS: -4.05732	SlogP: 2.95692	Reactive groups: 0

Topological Properties
Globularity: 0.0180867	Sterimol/B1: 2.01525	Sterimol/B2: 2.23101	Sterimol/B3: 3.20703
Sterimol/B4: 6.6648	Sterimol/L: 16.2432

Surface and Volume Properties
Accessible surface: 483.214	Positive charged surface: 277.991	Negative charged surface: 205.222	Volume: 248
Hydrophobic surface: 405.268	Hydrophilic surface: 77.946

Pharmacophoric Properties
Hydrogen bond donors: 2	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.