MMsINC Database Search


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MMsINC code: MMs01084272

Type: Neutral
Formula: C₁₉H₁₈N₂O₂

SMILES:

Oc1c2c(ccc1C(=O)Nc1ccc(N(C)C)cc1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.858 kcal/mol

Physical Properties
Molecular Weight: 306.365 g/mol	logS: -4.79821	SlogP: 3.8637	Reactive groups: 0

Topological Properties
Globularity: 0.015239	Sterimol/B1: 2.31625	Sterimol/B2: 3.26887	Sterimol/B3: 3.50751
Sterimol/B4: 4.79655	Sterimol/L: 18.6295

Surface and Volume Properties
Accessible surface: 553.557	Positive charged surface: 360.956	Negative charged surface: 182.365	Volume: 300.75
Hydrophobic surface: 486.404	Hydrophilic surface: 67.153

Pharmacophoric Properties
Hydrogen bond donors: 2	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.