MMsINC Database Search


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MMsINC code: MMs02144865

Type: Neutral
Formula: C₁₅H₁₄N₂O₃

SMILES:

Oc1ccc(cc1)\C=N\NC(=O)c1ccccc1CO

InChI:

InChI=1/C15H14N2O3/c18-10-12-3-1-2-4-14(12)15(20)17-16-9-11-5-7-13(19)8-6-11/h1-9,18-19H,10H2,(H,17,20)/b16-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.2579 kcal/mol

Physical Properties
Molecular Weight: 270.288 g/mol	logS: -2.94722	SlogP: 1.9148	Reactive groups: 0

Topological Properties
Globularity: 0.00355811	Sterimol/B1: 2.31335	Sterimol/B2: 2.43654	Sterimol/B3: 3.42892
Sterimol/B4: 6.30212	Sterimol/L: 16.8454

Surface and Volume Properties
Accessible surface: 521.883	Positive charged surface: 313.457	Negative charged surface: 208.426	Volume: 255.25
Hydrophobic surface: 352.535	Hydrophilic surface: 169.348

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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.