MMsINC Database Search


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MMsINC code: MMs01705611

Type: Neutral
Formula: C₂₄H₂₅NO₃

SMILES:

O(Cc1ccccc1C(=O)N(Cc1ccccc1)CCOC)c1ccccc1

InChI:

InChI=1/C24H25NO3/c1-27-17-16-25(18-20-10-4-2-5-11-20)24(26)23-15-9-8-12-21(23)19-28-22-13-6-3-7-14-22/h2-15H,16-19H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.43 kcal/mol

Physical Properties
Molecular Weight: 375.468 g/mol	logS: -5.15384	SlogP: 5.0872	Reactive groups: 0

Topological Properties
Globularity: 0.322429	Sterimol/B1: 2.14727	Sterimol/B2: 5.28952	Sterimol/B3: 6.09311
Sterimol/B4: 8.85474	Sterimol/L: 15.9834

Surface and Volume Properties
Accessible surface: 651.189	Positive charged surface: 423.253	Negative charged surface: 227.936	Volume: 383.5
Hydrophobic surface: 624.985	Hydrophilic surface: 26.204

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.