MMsINC Database Search


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MMsINC code: MMs02919251

Type: Neutral
Formula: C₂₂H₁₉NO₃

SMILES:

O(C(=O)c1ccc(cc1)C(=O)NC(c1ccccc1)c1ccccc1)C

InChI:

InChI=1/C22H19NO3/c1-26-22(25)19-14-12-18(13-15-19)21(24)23-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/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)=87.657 kcal/mol

Physical Properties
Molecular Weight: 345.398 g/mol	logS: -5.44854	SlogP: 4.0881	Reactive groups: 0

Topological Properties
Globularity: 0.102839	Sterimol/B1: 3.69365	Sterimol/B2: 4.76662	Sterimol/B3: 5.1111
Sterimol/B4: 6.39584	Sterimol/L: 16.4226

Surface and Volume Properties
Accessible surface: 625.098	Positive charged surface: 360.821	Negative charged surface: 264.277	Volume: 340.25
Hydrophobic surface: 556.926	Hydrophilic surface: 68.172

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.