MMsINC Database Search


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MMsINC code: MMs02121736

Type: Neutral
Formula: C₁₉H₂₄O₄

SMILES:

O(C)c1c(OC)cc(cc1OC)CCC(O)c1ccc(cc1)C

InChI:

InChI=1/C19H24O4/c1-13-5-8-15(9-6-13)16(20)10-7-14-11-17(21-2)19(23-4)18(12-14)22-3/h5-6,8-9,11-12,16,20H,7,10H2,1-4H3/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.354 kcal/mol

Physical Properties
Molecular Weight: 316.397 g/mol	logS: -3.8121	SlogP: 3.78249	Reactive groups: 0

Topological Properties
Globularity: 0.0810908	Sterimol/B1: 2.51126	Sterimol/B2: 5.74962	Sterimol/B3: 5.7772
Sterimol/B4: 6.09478	Sterimol/L: 17.4736

Surface and Volume Properties
Accessible surface: 614.862	Positive charged surface: 458.607	Negative charged surface: 156.255	Volume: 323.25
Hydrophobic surface: 559.15	Hydrophilic surface: 55.712

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.