MMsINC Database Search


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MMsINC code: MMs02023516

Type: Neutral
Formula: C₁₉H₁₈N₂O₂

SMILES:

O=C(C(=O)Nc1cccc(C)c1C)c1c2c([nH]c1C)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.897 kcal/mol

Physical Properties
Molecular Weight: 306.365 g/mol	logS: -4.9239	SlogP: 3.91456	Reactive groups: 0

Topological Properties
Globularity: 0.0954663	Sterimol/B1: 4.26724	Sterimol/B2: 4.27032	Sterimol/B3: 4.5496
Sterimol/B4: 5.90334	Sterimol/L: 15.9841

Surface and Volume Properties
Accessible surface: 563.201	Positive charged surface: 310.805	Negative charged surface: 247.894	Volume: 302.375
Hydrophobic surface: 480.017	Hydrophilic surface: 83.184

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.