MMsINC Database Search


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MMsINC code: MMs02402702

Type: Neutral
Formula: C₁₉H₁₆N₂O₂

SMILES:

O=C(N(N=O)C(C)c1ccccc1)c1cc2c(cc1)cccc2

InChI:

InChI=1/C19H16N2O2/c1-14(15-7-3-2-4-8-15)21(20-23)19(22)18-12-11-16-9-5-6-10-17(16)13-18/h2-14H,1H3/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.566 kcal/mol

Physical Properties
Molecular Weight: 304.349 g/mol	logS: -5.93735	SlogP: 4.8201	Reactive groups: 0

Topological Properties
Globularity: 0.222133	Sterimol/B1: 1.99592	Sterimol/B2: 4.53587	Sterimol/B3: 5.89659
Sterimol/B4: 6.78656	Sterimol/L: 14.2816

Surface and Volume Properties
Accessible surface: 524.354	Positive charged surface: 249.713	Negative charged surface: 268.011	Volume: 294.25
Hydrophobic surface: 476.954	Hydrophilic surface: 47.4

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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: no related molecules available.