MMsINC Database Search


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MMsINC code: MMs02759307

Type: Neutral
Formula: C₁₉H₂₄O₂

SMILES:

O(CC)c1cc2c(cc(cc2)C(O)C2CCCCC2)cc1

InChI:

InChI=1/C19H24O2/c1-2-21-18-11-10-15-12-17(9-8-16(15)13-18)19(20)14-6-4-3-5-7-14/h8-14,19-20H,2-7H2,1H3/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.6756 kcal/mol

Physical Properties
Molecular Weight: 284.399 g/mol	logS: -5.58574	SlogP: 4.9477	Reactive groups: 0

Topological Properties
Globularity: 0.062568	Sterimol/B1: 3.00206	Sterimol/B2: 3.57251	Sterimol/B3: 4.59121
Sterimol/B4: 4.89608	Sterimol/L: 17.6522

Surface and Volume Properties
Accessible surface: 550.712	Positive charged surface: 374.065	Negative charged surface: 165.328	Volume: 299.125
Hydrophobic surface: 487.53	Hydrophilic surface: 63.182

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.