MMsINC Database Search


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MMsINC code: MMs00093808

Type: Neutral
Formula: C₂₁H₂₀N₂O₃

SMILES:

O(C)c1cc(ccc1OC)C(=O)Nc1ccc(cc1)Cc1ccncc1

InChI:

InChI=1/C21H20N2O3/c1-25-19-8-5-17(14-20(19)26-2)21(24)23-18-6-3-15(4-7-18)13-16-9-11-22-12-10-16/h3-12,14H,13H2,1-2H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.474 kcal/mol

Physical Properties
Molecular Weight: 348.402 g/mol	logS: -4.31387	SlogP: 3.94187	Reactive groups: 0

Topological Properties
Globularity: 0.039196	Sterimol/B1: 2.02909	Sterimol/B2: 3.80272	Sterimol/B3: 4.21613
Sterimol/B4: 7.52406	Sterimol/L: 18.9449

Surface and Volume Properties
Accessible surface: 633.318	Positive charged surface: 458.671	Negative charged surface: 174.646	Volume: 340.75
Hydrophobic surface: 561.98	Hydrophilic surface: 71.338

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.