MMsINC Database Search


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MMsINC code: MMs02872155

Type: Neutral
Formula: C₂₅H₂₉NO₂

SMILES:

O(Cc1ccc(cc1)C)c1ccc(cc1OCC)CNc1ccccc1CC

InChI:

InChI=1/C25H29NO2/c1-4-22-8-6-7-9-23(22)26-17-21-14-15-24(25(16-21)27-5-2)28-18-20-12-10-19(3)11-13-20/h6-16,26H,4-5,17-18H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.58 kcal/mol

Physical Properties
Molecular Weight: 375.512 g/mol	logS: -6.29472	SlogP: 6.67999	Reactive groups: 0

Topological Properties
Globularity: 0.0871926	Sterimol/B1: 2.43029	Sterimol/B2: 4.22896	Sterimol/B3: 6.54426
Sterimol/B4: 6.72133	Sterimol/L: 21.2879

Surface and Volume Properties
Accessible surface: 736.329	Positive charged surface: 478.143	Negative charged surface: 258.186	Volume: 399.5
Hydrophobic surface: 668.419	Hydrophilic surface: 67.91

Pharmacophoric Properties
Hydrogen bond donors: 1	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.