MMsINC Database Search


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MMsINC code: MMs00615058

Type: Neutral
Formula: C₁₉H₁₆N₂O

SMILES:

O=C(NC(c1ccccc1)c1ccccc1)c1ncccc1

InChI:

InChI=1/C19H16N2O/c22-19(17-13-7-8-14-20-17)21-18(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,18H,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.9278 kcal/mol

Physical Properties
Molecular Weight: 288.35 g/mol	logS: -3.96159	SlogP: 3.6965	Reactive groups: 0

Topological Properties
Globularity: 0.176211	Sterimol/B1: 2.40154	Sterimol/B2: 3.25768	Sterimol/B3: 4.82153
Sterimol/B4: 9.05969	Sterimol/L: 13.792

Surface and Volume Properties
Accessible surface: 549.986	Positive charged surface: 309.372	Negative charged surface: 240.614	Volume: 292.125
Hydrophobic surface: 504.667	Hydrophilic surface: 45.319

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.