MMsINC Database Search


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MMsINC code: MMs01673362

Type: Neutral
Formula: C₂₂H₁₉NO₃

SMILES:

O(Cc1ccc(cc1)C(=O)Nc1ccccc1C(=O)C)c1ccccc1

InChI:

InChI=1/C22H19NO3/c1-16(24)20-9-5-6-10-21(20)23-22(25)18-13-11-17(12-14-18)15-26-19-7-3-2-4-8-19/h2-14H,15H2,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.788 kcal/mol

Physical Properties
Molecular Weight: 345.398 g/mol	logS: -5.48542	SlogP: 4.9869	Reactive groups: 0

Topological Properties
Globularity: 0.0312183	Sterimol/B1: 2.43741	Sterimol/B2: 3.45339	Sterimol/B3: 3.6715
Sterimol/B4: 7.64726	Sterimol/L: 20.3704

Surface and Volume Properties
Accessible surface: 633.204	Positive charged surface: 352.839	Negative charged surface: 280.365	Volume: 341.25
Hydrophobic surface: 564.672	Hydrophilic surface: 68.532

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.