MMsINC Database Search


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MMsINC code: MMs02677620

Type: Neutral
Formula: C₁₅H₁₄N₂O₃

SMILES:

O(C)c1ccc(cc1)CC(=O)NC(=O)c1cccnc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.634 kcal/mol

Physical Properties
Molecular Weight: 270.288 g/mol	logS: -2.53993	SlogP: 1.58927	Reactive groups: 0

Topological Properties
Globularity: 0.0437154	Sterimol/B1: 2.69573	Sterimol/B2: 3.14816	Sterimol/B3: 4.21539
Sterimol/B4: 4.77921	Sterimol/L: 18.2424

Surface and Volume Properties
Accessible surface: 516.183	Positive charged surface: 353.862	Negative charged surface: 162.321	Volume: 257.375
Hydrophobic surface: 422.496	Hydrophilic surface: 93.687

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.