MMsINC Database Search


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MMsINC code: MMs02252377

Type: Neutral
Formula: C₁₄H₁₂N₂O₂

SMILES:

O=C(c1ccc(NC(=O)N)cc1)c1ccccc1

InChI:

InChI=1/C14H12N2O2/c15-14(18)16-12-8-6-11(7-9-12)13(17)10-4-2-1-3-5-10/h1-9H,(H3,15,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.1735 kcal/mol

Physical Properties
Molecular Weight: 240.262 g/mol	logS: -3.60699	SlogP: 2.4082	Reactive groups: 0

Topological Properties
Globularity: 0.0220218	Sterimol/B1: 2.59647	Sterimol/B2: 2.86684	Sterimol/B3: 2.97007
Sterimol/B4: 5.44803	Sterimol/L: 15.3143

Surface and Volume Properties
Accessible surface: 450.917	Positive charged surface: 257.27	Negative charged surface: 193.647	Volume: 227.25
Hydrophobic surface: 289.545	Hydrophilic surface: 161.372

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.