MMsINC Database Search


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MMsINC code: MMs02375612

Type: Tautomer
Formula: C₁₅H₁₂N₂O₂

SMILES:

OC=1N(NC(=O)C=1c1ccccc1)c1ccccc1

InChI:

InChI=1/C15H12N2O2/c18-14-13(11-7-3-1-4-8-11)15(19)17(16-14)12-9-5-2-6-10-12/h1-10,19H,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.8923 kcal/mol

Physical Properties
Molecular Weight: 252.273 g/mol	logS: -3.52203	SlogP: 2.4646	Reactive groups: 0

Topological Properties
Globularity: 0.04967	Sterimol/B1: 2.62343	Sterimol/B2: 3.47212	Sterimol/B3: 3.74729
Sterimol/B4: 4.77213	Sterimol/L: 15.2582

Surface and Volume Properties
Accessible surface: 476.105	Positive charged surface: 261.801	Negative charged surface: 214.305	Volume: 241
Hydrophobic surface: 373.911	Hydrophilic surface: 102.194

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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

search links for this molecule:

Parent related molecule:

MMs02375611
NCID-ZINC01868480