MMsINC Database Search


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MMsINC code: MMs00401988

Type: Neutral
Formula: C₁₈H₁₄N₂O

SMILES:

O(Cc1[nH]c2c(n1)cc1c(c2)cccc1)c1ccccc1

InChI:

InChI=1/C18H14N2O/c1-2-8-15(9-3-1)21-12-18-19-16-10-13-6-4-5-7-14(13)11-17(16)20-18/h1-11H,12H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.0867 kcal/mol

Physical Properties
Molecular Weight: 274.323 g/mol	logS: -5.33256	SlogP: 4.5615	Reactive groups: 0

Topological Properties
Globularity: 0.00212328	Sterimol/B1: 2.37361	Sterimol/B2: 2.37648	Sterimol/B3: 3.96112
Sterimol/B4: 4.30179	Sterimol/L: 18.2557

Surface and Volume Properties
Accessible surface: 526.581	Positive charged surface: 291.673	Negative charged surface: 223.709	Volume: 271.75
Hydrophobic surface: 474.142	Hydrophilic surface: 52.439

Pharmacophoric Properties
Hydrogen bond donors: 2	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.