MMsINC Database Search


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MMsINC code: MMs02133239

Type: Neutral
Formula: C₁₉H₁₈N₂O₂

SMILES:

O(C(=O)c1c(n(nc1C)-c1ccccc1)C)c1ccc(cc1)C

InChI:

InChI=1/C19H18N2O2/c1-13-9-11-17(12-10-13)23-19(22)18-14(2)20-21(15(18)3)16-7-5-4-6-8-16/h4-12H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.07 kcal/mol

Physical Properties
Molecular Weight: 306.365 g/mol	logS: -4.75355	SlogP: 4.01676	Reactive groups: 0

Topological Properties
Globularity: 0.0276102	Sterimol/B1: 3.07154	Sterimol/B2: 3.11895	Sterimol/B3: 3.32307
Sterimol/B4: 6.64196	Sterimol/L: 18.0409

Surface and Volume Properties
Accessible surface: 566.657	Positive charged surface: 310.728	Negative charged surface: 255.929	Volume: 307.125
Hydrophobic surface: 518.098	Hydrophilic surface: 48.559

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.