MMsINC Database Search


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MMsINC code: MMs01723512

Type: Neutral
Formula: C₂₄H₂₅NO₂

SMILES:

O(C)c1cc(ccc1)CN(C(=O)CC(c1ccccc1)c1ccccc1)C

InChI:

InChI=1/C24H25NO2/c1-25(18-19-10-9-15-22(16-19)27-2)24(26)17-23(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-16,23H,17-18H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.4141 kcal/mol

Physical Properties
Molecular Weight: 359.469 g/mol	logS: -4.82915	SlogP: 5.1422	Reactive groups: 0

Topological Properties
Globularity: 0.140421	Sterimol/B1: 2.33373	Sterimol/B2: 5.32572	Sterimol/B3: 6.28502
Sterimol/B4: 6.87337	Sterimol/L: 16.7953

Surface and Volume Properties
Accessible surface: 656.078	Positive charged surface: 436.327	Negative charged surface: 219.752	Volume: 375
Hydrophobic surface: 628.423	Hydrophilic surface: 27.655

Pharmacophoric Properties
Hydrogen bond donors: 0	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.