MMsINC Database Search


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MMsINC code: MMs02989501

Type: Neutral
Formula: C₁₉H₁₆N₂O₃

SMILES:

O(C)c1cc(ccc1)C(=O)N\N=C\c1ccc2c(cccc2)c1O

InChI:

InChI=1/C19H16N2O3/c1-24-16-7-4-6-14(11-16)19(23)21-20-12-15-10-9-13-5-2-3-8-17(13)18(15)22/h2-12,22H,1H3,(H,21,23)/b20-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.526 kcal/mol

Physical Properties
Molecular Weight: 320.348 g/mol	logS: -5.10446	SlogP: 3.3179	Reactive groups: 0

Topological Properties
Globularity: 0.00215257	Sterimol/B1: 2.3679	Sterimol/B2: 2.38234	Sterimol/B3: 3.34606
Sterimol/B4: 5.90606	Sterimol/L: 19.7968

Surface and Volume Properties
Accessible surface: 580.282	Positive charged surface: 356.693	Negative charged surface: 212.772	Volume: 307
Hydrophobic surface: 472.502	Hydrophilic surface: 107.78

Pharmacophoric Properties
Hydrogen bond donors: 2	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.