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MMsINC code: MMs00592737

Type: Neutral
Formula: C₂₁H₂₅NO₃

SMILES:

O(C)c1cc(OC)ccc1C(=O)NCC1(CCCC1)c1ccccc1

InChI:

InChI=1/C21H25NO3/c1-24-17-10-11-18(19(14-17)25-2)20(23)22-15-21(12-6-7-13-21)16-8-4-3-5-9-16/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.506 kcal/mol

Physical Properties
Molecular Weight: 339.435 g/mol	logS: -4.79308	SlogP: 3.9456	Reactive groups: 0

Topological Properties
Globularity: 0.141599	Sterimol/B1: 3.10381	Sterimol/B2: 3.16268	Sterimol/B3: 6.02394
Sterimol/B4: 7.94092	Sterimol/L: 14.9027

Surface and Volume Properties
Accessible surface: 610.474	Positive charged surface: 438.406	Negative charged surface: 172.069	Volume: 344.375
Hydrophobic surface: 569.904	Hydrophilic surface: 40.57

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.