MMsINC Database Search


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MMsINC code: MMs01937658

Type: Neutral
Formula: C₂₁H₁₈N₂O₃

SMILES:

O(C)c1cc2cc([nH]c2cc1OC)C(=O)Nc1cc2c(cc1)cccc2

InChI:

InChI=1/C21H18N2O3/c1-25-19-11-15-10-18(23-17(15)12-20(19)26-2)21(24)22-16-8-7-13-5-3-4-6-14(13)9-16/h3-12,23H,1-2H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.77 kcal/mol

Physical Properties
Molecular Weight: 346.386 g/mol	logS: -5.77633	SlogP: 4.5906	Reactive groups: 0

Topological Properties
Globularity: 0.0131033	Sterimol/B1: 2.05491	Sterimol/B2: 2.39959	Sterimol/B3: 3.4427
Sterimol/B4: 7.50379	Sterimol/L: 19.7842

Surface and Volume Properties
Accessible surface: 620.115	Positive charged surface: 392.533	Negative charged surface: 211.199	Volume: 330.125
Hydrophobic surface: 536.866	Hydrophilic surface: 83.249

Pharmacophoric Properties
Hydrogen bond donors: 2	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.