MMsINC Database Search


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MMsINC code: MMs00111094

Type: Neutral
Formula: C₁₄H₁₂N₂O₃

SMILES:

O(C(=O)C)c1ccc(cc1)C(=O)Nc1ncccc1

InChI:

InChI=1/C14H12N2O3/c1-10(17)19-12-7-5-11(6-8-12)14(18)16-13-4-2-3-9-15-13/h2-9H,1H3,(H,15,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.5907 kcal/mol

Physical Properties
Molecular Weight: 256.261 g/mol	logS: -2.76151	SlogP: 2.2592	Reactive groups: 0

Topological Properties
Globularity: 0.0111224	Sterimol/B1: 2.82627	Sterimol/B2: 2.96438	Sterimol/B3: 3.44322
Sterimol/B4: 4.33252	Sterimol/L: 17.2219

Surface and Volume Properties
Accessible surface: 494.013	Positive charged surface: 290.053	Negative charged surface: 203.96	Volume: 238.875
Hydrophobic surface: 395.462	Hydrophilic surface: 98.551

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.