MMsINC Database Search


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MMsINC code: MMs02739473

Type: Neutral
Formula: C₁₅H₁₄N₂O₃

SMILES:

O(C)c1cc(ccc1-c1ccc(cc1)C(=O)N)C(=O)N

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.5228 kcal/mol

Physical Properties
Molecular Weight: 270.288 g/mol	logS: -4.36588	SlogP: 1.56	Reactive groups: 0

Topological Properties
Globularity: 0.0386934	Sterimol/B1: 2.31405	Sterimol/B2: 2.38879	Sterimol/B3: 3.41642
Sterimol/B4: 7.1495	Sterimol/L: 15.9543

Surface and Volume Properties
Accessible surface: 489.988	Positive charged surface: 303.331	Negative charged surface: 182.226	Volume: 252.875
Hydrophobic surface: 282.835	Hydrophilic surface: 207.153

Pharmacophoric Properties
Hydrogen bond donors: 2	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.