MMsINC Database Search


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MMsINC code: MMs02735014

Type: Neutral
Formula: C₂₃H₂₄N₂O₂

SMILES:

O(CC)c1ccc(N(Cc2ccccc2)C(=O)Nc2cc(ccc2)C)cc1

InChI:

InChI=1/C23H24N2O2/c1-3-27-22-14-12-21(13-15-22)25(17-19-9-5-4-6-10-19)23(26)24-20-11-7-8-18(2)16-20/h4-16H,3,17H2,1-2H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.923 kcal/mol

Physical Properties
Molecular Weight: 360.457 g/mol	logS: -5.76547	SlogP: 5.89882	Reactive groups: 0

Topological Properties
Globularity: 0.0956284	Sterimol/B1: 2.68536	Sterimol/B2: 3.3459	Sterimol/B3: 4.93929
Sterimol/B4: 9.03364	Sterimol/L: 18.4653

Surface and Volume Properties
Accessible surface: 669.441	Positive charged surface: 408.952	Negative charged surface: 260.489	Volume: 368.5
Hydrophobic surface: 610.323	Hydrophilic surface: 59.118

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.