MMsINC Database Search


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MMsINC code: MMs01239812

Type: Neutral
Formula: C₁₄H₁₂N₂O₂

SMILES:

O=C(NC(=O)Nc1ccccc1)c1ccccc1

InChI:

InChI=1/C14H12N2O2/c17-13(11-7-3-1-4-8-11)16-14(18)15-12-9-5-2-6-10-12/h1-10H,(H2,15,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.2474 kcal/mol

Physical Properties
Molecular Weight: 240.262 g/mol	logS: -3.5834	SlogP: 2.6485	Reactive groups: 0

Topological Properties
Globularity: 0.0096317	Sterimol/B1: 2.57716	Sterimol/B2: 2.59421	Sterimol/B3: 3.45136
Sterimol/B4: 4.20404	Sterimol/L: 16.3709

Surface and Volume Properties
Accessible surface: 470.23	Positive charged surface: 254.788	Negative charged surface: 215.442	Volume: 230.125
Hydrophobic surface: 381.175	Hydrophilic surface: 89.055

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.