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MMsINC code: MMs02882012

Type: Neutral
Formula: C₂₅H₃₃NO₃

SMILES:

O(CCOc1ccc(cc1)C1CCCCC1)c1cc(N(CC)CC)ccc1C=O

InChI:

InChI=1/C25H33NO3/c1-3-26(4-2)23-13-10-22(19-27)25(18-23)29-17-16-28-24-14-11-21(12-15-24)20-8-6-5-7-9-20/h10-15,18-20H,3-9,16-17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.19 kcal/mol

Physical Properties
Molecular Weight: 395.543 g/mol	logS: -6.8159	SlogP: 5.8508	Reactive groups: 1

Topological Properties
Globularity: 0.0331716	Sterimol/B1: 2.20689	Sterimol/B2: 4.97525	Sterimol/B3: 5.09355
Sterimol/B4: 6.55652	Sterimol/L: 22.1536

Surface and Volume Properties
Accessible surface: 732.809	Positive charged surface: 530.262	Negative charged surface: 202.546	Volume: 416.25
Hydrophobic surface: 608.189	Hydrophilic surface: 124.62

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: 0

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Ions/Tautomers related molecules: no related molecules available.