MMsINC Database Search


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MMsINC code: MMs02670200

Type: Neutral
Formula: C₁₉H₁₆N₂O₂

SMILES:

O(Cc1ccccc1)c1cccnc1\N=C\c1ccccc1O

InChI:

InChI=1/C19H16N2O2/c22-17-10-5-4-9-16(17)13-21-19-18(11-6-12-20-19)23-14-15-7-2-1-3-8-15/h1-13,22H,14H2/b21-13+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.8479 kcal/mol

Physical Properties
Molecular Weight: 304.349 g/mol	logS: -3.81907	SlogP: 4.3832	Reactive groups: 0

Topological Properties
Globularity: 0.0565448	Sterimol/B1: 2.48634	Sterimol/B2: 3.61691	Sterimol/B3: 3.62732
Sterimol/B4: 9.89251	Sterimol/L: 14.6221

Surface and Volume Properties
Accessible surface: 571.32	Positive charged surface: 362.274	Negative charged surface: 209.047	Volume: 301.125
Hydrophobic surface: 505.969	Hydrophilic surface: 65.351

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.