MMsINC Database Search


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MMsINC code: MMs01272839

Type: Neutral
Formula: C₂₅H₂₅NO₃

SMILES:

O(C(=O)c1ccccc1CCc1ccccc1)CC(=O)NC(C)c1ccccc1

InChI:

InChI=1/C25H25NO3/c1-19(21-12-6-3-7-13-21)26-24(27)18-29-25(28)23-15-9-8-14-22(23)17-16-20-10-4-2-5-11-20/h2-15,19H,16-18H2,1H3,(H,26,27)/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.054 kcal/mol

Physical Properties
Molecular Weight: 387.479 g/mol	logS: -6.52559	SlogP: 4.60144	Reactive groups: 0

Topological Properties
Globularity: 0.0328518	Sterimol/B1: 2.04698	Sterimol/B2: 5.29889	Sterimol/B3: 5.98331
Sterimol/B4: 7.95894	Sterimol/L: 18.9016

Surface and Volume Properties
Accessible surface: 712.483	Positive charged surface: 417.795	Negative charged surface: 294.689	Volume: 392.375
Hydrophobic surface: 640.529	Hydrophilic surface: 71.954

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.