MMsINC Database Search


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MMsINC code: MMs00534227

Type: Neutral
Formula: C₂₄H₂₅NO₃

SMILES:

O(CCNC(=O)c1ccccc1COc1ccc(cc1)C)c1ccccc1C

InChI:

InChI=1/C24H25NO3/c1-18-11-13-21(14-12-18)28-17-20-8-4-5-9-22(20)24(26)25-15-16-27-23-10-6-3-7-19(23)2/h3-14H,15-17H2,1-2H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.72 kcal/mol

Physical Properties
Molecular Weight: 375.468 g/mol	logS: -5.8284	SlogP: 4.95764	Reactive groups: 0

Topological Properties
Globularity: 0.0434535	Sterimol/B1: 2.39908	Sterimol/B2: 3.87397	Sterimol/B3: 4.10898
Sterimol/B4: 9.16169	Sterimol/L: 21.2275

Surface and Volume Properties
Accessible surface: 704.558	Positive charged surface: 431.913	Negative charged surface: 272.645	Volume: 383.75
Hydrophobic surface: 674.696	Hydrophilic surface: 29.862

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.