MMsINC Database Search


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MMsINC code: MMs03446256

Type: Neutral
Formula: C₂₁H₁₈N₂O₃

SMILES:

Oc1cc(C)c(NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1

InChI:

InChI=1/C21H18N2O3/c1-14-13-16(24)11-12-18(14)22-21(26)17-9-5-6-10-19(17)23-20(25)15-7-3-2-4-8-15/h2-13,24H,1H3,(H,22,26)(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.244 kcal/mol

Physical Properties
Molecular Weight: 346.386 g/mol	logS: -5.12338	SlogP: 4.20522	Reactive groups: 0

Topological Properties
Globularity: 0.0455782	Sterimol/B1: 2.30988	Sterimol/B2: 4.3304	Sterimol/B3: 6.12769
Sterimol/B4: 6.50963	Sterimol/L: 15.461

Surface and Volume Properties
Accessible surface: 600.878	Positive charged surface: 339.058	Negative charged surface: 261.82	Volume: 331.25
Hydrophobic surface: 501.93	Hydrophilic surface: 98.948

Pharmacophoric Properties
Hydrogen bond donors: 3	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.