MMsINC Database Search


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MMsINC code: MMs01077432

Type: Neutral
Formula: C₁₅H₁₄N₂O₃

SMILES:

OC(=O)CC(NC(=O)c1cccnc1)c1ccccc1

InChI:

InChI=1/C15H14N2O3/c18-14(19)9-13(11-5-2-1-3-6-11)17-15(20)12-7-4-8-16-10-12/h1-8,10,13H,9H2,(H,17,20)(H,18,19)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.9164 kcal/mol

Physical Properties
Molecular Weight: 270.288 g/mol	logS: -1.91853	SlogP: 2.1229	Reactive groups: 0

Topological Properties
Globularity: 0.0863483	Sterimol/B1: 2.29049	Sterimol/B2: 3.16287	Sterimol/B3: 3.59572
Sterimol/B4: 7.46521	Sterimol/L: 13.8128

Surface and Volume Properties
Accessible surface: 492.603	Positive charged surface: 300.373	Negative charged surface: 192.23	Volume: 253.75
Hydrophobic surface: 360.908	Hydrophilic surface: 131.695

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

MMs01077433
CHEMSTAR-ZINC01132897