MMsINC Database Search


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MMsINC code: MMs00335190

Type: Neutral
Formula: C₁₉H₁₄N₂O

SMILES:

O=C(n1c2c(c3c1cccc3)cccc2)c1ccc(N)cc1

InChI:

InChI=1/C19H14N2O/c20-14-11-9-13(10-12-14)19(22)21-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-12H,20H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.9861 kcal/mol

Physical Properties
Molecular Weight: 286.334 g/mol	logS: -5.29156	SlogP: 4.0652	Reactive groups: 0

Topological Properties
Globularity: 0.143691	Sterimol/B1: 3.05272	Sterimol/B2: 3.43053	Sterimol/B3: 4.97682
Sterimol/B4: 8.85373	Sterimol/L: 13.4118

Surface and Volume Properties
Accessible surface: 516.619	Positive charged surface: 266.252	Negative charged surface: 241.187	Volume: 281.375
Hydrophobic surface: 425.589	Hydrophilic surface: 91.03

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