MMsINC Database Search


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MMsINC code: MMs00844880

Type: Neutral
Formula: C₁₄H₁₂N₂O₃

SMILES:

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

InChI:

InChI=1/C14H12N2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.3466 kcal/mol

Physical Properties
Molecular Weight: 256.261 g/mol	logS: -3.67183	SlogP: 1.6767	Reactive groups: 0

Topological Properties
Globularity: 0.0676881	Sterimol/B1: 3.2018	Sterimol/B2: 3.59631	Sterimol/B3: 3.8918
Sterimol/B4: 5.24523	Sterimol/L: 15.7174

Surface and Volume Properties
Accessible surface: 471.989	Positive charged surface: 265.141	Negative charged surface: 206.848	Volume: 235.25
Hydrophobic surface: 263.869	Hydrophilic surface: 208.12

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.