MMsINC Database Search


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MMsINC code: MMs02668985

Type: Neutral
Formula: C₂₃H₂₃NO₂

SMILES:

O(Cc1ccccc1)c1ccc(cc1)CCNC(=O)Cc1ccccc1

InChI:

InChI=1/C23H23NO2/c25-23(17-20-7-3-1-4-8-20)24-16-15-19-11-13-22(14-12-19)26-18-21-9-5-2-6-10-21/h1-14H,15-18H2,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.724 kcal/mol

Physical Properties
Molecular Weight: 345.442 g/mol	logS: -5.24013	SlogP: 4.43334	Reactive groups: 0

Topological Properties
Globularity: 0.0345711	Sterimol/B1: 2.60498	Sterimol/B2: 3.78004	Sterimol/B3: 3.8196
Sterimol/B4: 6.59071	Sterimol/L: 22.0517

Surface and Volume Properties
Accessible surface: 687.221	Positive charged surface: 412.44	Negative charged surface: 274.781	Volume: 361.875
Hydrophobic surface: 633.883	Hydrophilic surface: 53.338

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.