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MMsINC code: MMs02916541

Type: Neutral
Formula: C₂₅H₃₃NO₂

SMILES:

O(Cc1ccc(cc1)C(=O)NCC1CCCCC1)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C25H33NO2/c1-25(2,3)22-13-15-23(16-14-22)28-18-20-9-11-21(12-10-20)24(27)26-17-19-7-5-4-6-8-19/h9-16,19H,4-8,17-18H2,1-3H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.9693 kcal/mol

Physical Properties
Molecular Weight: 379.544 g/mol	logS: -7.54324	SlogP: 6.1396	Reactive groups: 0

Topological Properties
Globularity: 0.0293289	Sterimol/B1: 2.27974	Sterimol/B2: 3.04218	Sterimol/B3: 4.27938
Sterimol/B4: 7.1092	Sterimol/L: 22.9326

Surface and Volume Properties
Accessible surface: 734.413	Positive charged surface: 494.332	Negative charged surface: 240.081	Volume: 406.625
Hydrophobic surface: 632.665	Hydrophilic surface: 101.748

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.