MMsINC Database Search


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MMsINC code: MMs01442342

Type: Neutral
Formula: C₂₄H₂₅NO₃

SMILES:

O(C(=O)c1c2c(ccc1)cccc2)CC(=O)N(Cc1ccccc1)C(C)(C)C

InChI:

InChI=1/C24H25NO3/c1-24(2,3)25(16-18-10-5-4-6-11-18)22(26)17-28-23(27)21-15-9-13-19-12-7-8-14-20(19)21/h4-15H,16-17H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=165.267 kcal/mol

Physical Properties
Molecular Weight: 375.468 g/mol	logS: -6.4606	SlogP: 5.0903	Reactive groups: 0

Topological Properties
Globularity: 0.0535117	Sterimol/B1: 2.95551	Sterimol/B2: 3.49886	Sterimol/B3: 3.94055
Sterimol/B4: 8.2089	Sterimol/L: 17.6938

Surface and Volume Properties
Accessible surface: 632.785	Positive charged surface: 357.676	Negative charged surface: 265.466	Volume: 377.625
Hydrophobic surface: 533.388	Hydrophilic surface: 99.397

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.