MMsINC Database Search


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MMsINC code: MMs02370739

Type: Neutral
Formula: C₁₅H₁₄N₂O₃

SMILES:

OC(=O)C(NC(=O)c1ccncc1)Cc1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.3273 kcal/mol

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

Topological Properties
Globularity: 0.161621	Sterimol/B1: 2.501	Sterimol/B2: 3.26083	Sterimol/B3: 4.02141
Sterimol/B4: 9.14056	Sterimol/L: 12.7401

Surface and Volume Properties
Accessible surface: 492.893	Positive charged surface: 297.917	Negative charged surface: 194.976	Volume: 255.875
Hydrophobic surface: 361.422	Hydrophilic surface: 131.471

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

search links for this molecule:

Ions/Tautomers related molecules

MMs02370740
NCID-ZINC01769143