MMsINC Database Search


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MMsINC code: MMs00696192

Type: Neutral
Formula: C₂₄H₂₅NO₂

SMILES:

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

InChI:

InChI=1/C24H25NO2/c1-19-14-16-22(17-15-19)27-18-8-13-23(26)25-24(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,14-17,24H,8,13,18H2,1H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.7535 kcal/mol

Physical Properties
Molecular Weight: 359.469 g/mol	logS: -5.70124	SlogP: 5.15532	Reactive groups: 0

Topological Properties
Globularity: 0.0551297	Sterimol/B1: 3.81986	Sterimol/B2: 4.44901	Sterimol/B3: 4.81738
Sterimol/B4: 6.54097	Sterimol/L: 19.8326

Surface and Volume Properties
Accessible surface: 701.187	Positive charged surface: 417.873	Negative charged surface: 283.313	Volume: 374.875
Hydrophobic surface: 662.156	Hydrophilic surface: 39.031

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.