MMsINC Database Search


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MMsINC code: MMs03313623

Type: Neutral
Formula: C₁₅H₁₄N₂O₃

SMILES:

OC(=O)C(NC(=O)c1ccccc1)Cc1cccnc1

InChI:

InChI=1/C15H14N2O3/c18-14(12-6-2-1-3-7-12)17-13(15(19)20)9-11-5-4-8-16-10-11/h1-8,10,13H,9H2,(H,17,18)(H,19,20)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.4592 kcal/mol

Physical Properties
Molecular Weight: 270.288 g/mol	logS: -2.09808	SlogP: 1.50727	Reactive groups: 0

Topological Properties
Globularity: 0.143338	Sterimol/B1: 3.38671	Sterimol/B2: 3.99404	Sterimol/B3: 4.84439
Sterimol/B4: 6.91963	Sterimol/L: 12.8553

Surface and Volume Properties
Accessible surface: 496.496	Positive charged surface: 287.306	Negative charged surface: 209.19	Volume: 255.25
Hydrophobic surface: 365.697	Hydrophilic surface: 130.799

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs03313624
PUBCHEM-ZINC05582008