MMsINC Database Search


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MMsINC code: MMs00712895

Type: Neutral
Formula: C₁₅H₁₄N₂O₃

SMILES:

O(C(=O)c1ccccc1)CCNC(=O)c1cccnc1

InChI:

InChI=1/C15H14N2O3/c18-14(13-7-4-8-16-11-13)17-9-10-20-15(19)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.7855 kcal/mol

Physical Properties
Molecular Weight: 270.288 g/mol	logS: -2.44894	SlogP: 1.6684	Reactive groups: 0

Topological Properties
Globularity: 0.0575356	Sterimol/B1: 2.55301	Sterimol/B2: 2.74688	Sterimol/B3: 3.714
Sterimol/B4: 6.97953	Sterimol/L: 15.9409

Surface and Volume Properties
Accessible surface: 527.687	Positive charged surface: 333.521	Negative charged surface: 194.166	Volume: 260.125
Hydrophobic surface: 435.17	Hydrophilic surface: 92.517

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.