MMsINC Database Search


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MMsINC code: MMs00117636

Type: Neutral
Formula: C₁₈H₁₅NO₂

SMILES:

O(Cc1ccccc1)c1ccc2c(cccc2)c1\C=N\O

InChI:

InChI=1/C18H15NO2/c20-19-12-17-16-9-5-4-8-15(16)10-11-18(17)21-13-14-6-2-1-3-7-14/h1-12,20H,13H2/b19-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.859 kcal/mol

Physical Properties
Molecular Weight: 277.323 g/mol	logS: -4.90237	SlogP: 4.4933	Reactive groups: 0

Topological Properties
Globularity: 0.0498944	Sterimol/B1: 3.61707	Sterimol/B2: 3.61983	Sterimol/B3: 4.71215
Sterimol/B4: 5.29586	Sterimol/L: 16.3311

Surface and Volume Properties
Accessible surface: 525.737	Positive charged surface: 297.014	Negative charged surface: 217.925	Volume: 277
Hydrophobic surface: 437.985	Hydrophilic surface: 87.752

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.