MMsINC Database Search


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MMsINC code: MMs01311784

Type: Neutral
Formula: C₁₉H₁₈N₂O₂

SMILES:

O(CC)c1ccc(NC(=O)c2cc(nc3c2cccc3)C)cc1

InChI:

InChI=1/C19H18N2O2/c1-3-23-15-10-8-14(9-11-15)21-19(22)17-12-13(2)20-18-7-5-4-6-16(17)18/h4-12H,3H2,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.7636 kcal/mol

Physical Properties
Molecular Weight: 306.365 g/mol	logS: -4.63439	SlogP: 4.19422	Reactive groups: 0

Topological Properties
Globularity: 0.0208246	Sterimol/B1: 2.8422	Sterimol/B2: 3.3197	Sterimol/B3: 5.01079
Sterimol/B4: 5.91705	Sterimol/L: 17.4852

Surface and Volume Properties
Accessible surface: 581.218	Positive charged surface: 354.559	Negative charged surface: 221.079	Volume: 303.25
Hydrophobic surface: 504.845	Hydrophilic surface: 76.373

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.