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MMsINC code: MMs03376655

Type: Neutral
Formula: C₂₅H₂₉NO₂

SMILES:

O(C)c1cc(ccc1OC)C(NCCC(c1ccccc1)c1ccccc1)C

InChI:

InChI=1/C25H29NO2/c1-19(22-14-15-24(27-2)25(18-22)28-3)26-17-16-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-15,18-19,23,26H,16-17H2,1-3H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.7 kcal/mol

Physical Properties
Molecular Weight: 375.512 g/mol	logS: -5.22695	SlogP: 5.6721	Reactive groups: 0

Topological Properties
Globularity: 0.112025	Sterimol/B1: 3.35016	Sterimol/B2: 3.72796	Sterimol/B3: 5.80544
Sterimol/B4: 7.52995	Sterimol/L: 17.5141

Surface and Volume Properties
Accessible surface: 717.367	Positive charged surface: 494.678	Negative charged surface: 222.69	Volume: 397.875
Hydrophobic surface: 669.438	Hydrophilic surface: 47.929

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03376656
PUBCHEM-ZINC05763317