MMsINC Database Search


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MMsINC code: MMs01238348

Type: Neutral
Formula: C₂₂H₁₉NO₃

SMILES:

O(C(=O)c1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1)C

InChI:

InChI=1/C22H19NO3/c1-26-22(25)18-13-8-14-19(15-18)23-21(24)20(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-15,20H,1H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.756 kcal/mol

Physical Properties
Molecular Weight: 345.398 g/mol	logS: -5.44053	SlogP: 4.2438	Reactive groups: 0

Topological Properties
Globularity: 0.190567	Sterimol/B1: 3.70393	Sterimol/B2: 4.34701	Sterimol/B3: 5.41219
Sterimol/B4: 7.00453	Sterimol/L: 15.2371

Surface and Volume Properties
Accessible surface: 629.025	Positive charged surface: 375.854	Negative charged surface: 253.172	Volume: 340.125
Hydrophobic surface: 557.798	Hydrophilic surface: 71.227

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.