MMsINC Database Search


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MMsINC code: MMs01935513

Type: Neutral
Formula: C₁₉H₂₀N₂O₃

SMILES:

O(C)c1cc2cc([nH]c2cc1OC)C(=O)N(Cc1ccccc1)C

InChI:

InChI=1/C19H20N2O3/c1-21(12-13-7-5-4-6-8-13)19(22)16-9-14-10-17(23-2)18(24-3)11-15(14)20-16/h4-11,20H,12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.189 kcal/mol

Physical Properties
Molecular Weight: 324.38 g/mol	logS: -3.7365	SlogP: 3.7237	Reactive groups: 0

Topological Properties
Globularity: 0.0575454	Sterimol/B1: 3.10739	Sterimol/B2: 3.27291	Sterimol/B3: 4.55838
Sterimol/B4: 6.42076	Sterimol/L: 16.5333

Surface and Volume Properties
Accessible surface: 582.867	Positive charged surface: 409.299	Negative charged surface: 168.447	Volume: 315.5
Hydrophobic surface: 520.944	Hydrophilic surface: 61.923

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.