MMsINC Database Search


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MMsINC code: MMs01637400

Type: Neutral
Formula: C₁₉H₁₈N₂O₂

SMILES:

O(C(=O)c1ccc(cc1)C)c1n(nc(c1)C)Cc1ccccc1

InChI:

InChI=1/C19H18N2O2/c1-14-8-10-17(11-9-14)19(22)23-18-12-15(2)20-21(18)13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.598 kcal/mol

Physical Properties
Molecular Weight: 306.365 g/mol	logS: -4.69546	SlogP: 4.03384	Reactive groups: 0

Topological Properties
Globularity: 0.0636922	Sterimol/B1: 3.40326	Sterimol/B2: 3.88548	Sterimol/B3: 4.84024
Sterimol/B4: 7.08204	Sterimol/L: 15.5375

Surface and Volume Properties
Accessible surface: 576.836	Positive charged surface: 333.639	Negative charged surface: 243.198	Volume: 307.5
Hydrophobic surface: 528.074	Hydrophilic surface: 48.762

Pharmacophoric Properties
Hydrogen bond donors: 0	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.