MMsINC Database Search


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MMsINC code: MMs03120349

Type: Neutral
Formula: C₁₅H₁₄N₂O₃

SMILES:

OC(=O)c1cc(ccc1NC(=O)Nc1ccccc1)C

InChI:

InChI=1/C15H14N2O3/c1-10-7-8-13(12(9-10)14(18)19)17-15(20)16-11-5-3-2-4-6-11/h2-9H,1H3,(H,18,19)(H2,16,17,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.0626 kcal/mol

Physical Properties
Molecular Weight: 270.288 g/mol	logS: -3.69537	SlogP: 3.33722	Reactive groups: 0

Topological Properties
Globularity: 0.0417656	Sterimol/B1: 2.47409	Sterimol/B2: 2.93562	Sterimol/B3: 3.21216
Sterimol/B4: 7.01658	Sterimol/L: 15.5792

Surface and Volume Properties
Accessible surface: 506.919	Positive charged surface: 301.182	Negative charged surface: 205.737	Volume: 252.375
Hydrophobic surface: 372.484	Hydrophilic surface: 134.435

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs03120350
PUBCHEM-ZINC04419394