MMsINC Database Search


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MMsINC code: MMs03818834

Type: Neutral
Formula: C₂₅H₂₃NO₃

SMILES:

O(CC(=O)c1c2c(n(c1)CCOc1ccc(cc1)C)cccc2)c1ccccc1

InChI:

InChI=1/C25H23NO3/c1-19-11-13-21(14-12-19)28-16-15-26-17-23(22-9-5-6-10-24(22)26)25(27)18-29-20-7-3-2-4-8-20/h2-14,17H,15-16,18H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.8634 kcal/mol

Physical Properties
Molecular Weight: 385.463 g/mol	logS: -6.03706	SlogP: 5.55682	Reactive groups: 0

Topological Properties
Globularity: 0.0584977	Sterimol/B1: 2.3901	Sterimol/B2: 3.07298	Sterimol/B3: 5.49202
Sterimol/B4: 10.3363	Sterimol/L: 19.9354

Surface and Volume Properties
Accessible surface: 711.875	Positive charged surface: 405.35	Negative charged surface: 300.779	Volume: 388.375
Hydrophobic surface: 657.327	Hydrophilic surface: 54.548

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.