MMsINC Database Search


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MMsINC code: MMs02636224

Type: Neutral
Formula: C₁₅H₁₄N₂O₃

SMILES:

O(C(=O)c1ccccc1NC(=O)c1ncccc1)CC

InChI:

InChI=1/C15H14N2O3/c1-2-20-15(19)11-7-3-4-8-12(11)17-14(18)13-9-5-6-10-16-13/h3-10H,2H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.6063 kcal/mol

Physical Properties
Molecular Weight: 270.288 g/mol	logS: -2.95859	SlogP: 2.5106	Reactive groups: 0

Topological Properties
Globularity: 0.0296914	Sterimol/B1: 2.44493	Sterimol/B2: 2.562	Sterimol/B3: 3.22988
Sterimol/B4: 8.82823	Sterimol/L: 14.7687

Surface and Volume Properties
Accessible surface: 517.658	Positive charged surface: 334.385	Negative charged surface: 183.272	Volume: 258.25
Hydrophobic surface: 418.34	Hydrophilic surface: 99.318

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.