MMsINC Database Search


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MMsINC code: MMs02091470

Type: Neutral
Formula: C₁₈H₁₆O₄

SMILES:

o1c2c(c(C)c1C(=O)c1ccccc1)c(OC)cc(OC)c2

InChI:

InChI=1/C18H16O4/c1-11-16-14(21-3)9-13(20-2)10-15(16)22-18(11)17(19)12-7-5-4-6-8-12/h4-10H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.6307 kcal/mol

Physical Properties
Molecular Weight: 296.322 g/mol	logS: -5.31717	SlogP: 3.98942	Reactive groups: 0

Topological Properties
Globularity: 0.00870618	Sterimol/B1: 1.969	Sterimol/B2: 2.31444	Sterimol/B3: 2.51789
Sterimol/B4: 7.88235	Sterimol/L: 15.5205

Surface and Volume Properties
Accessible surface: 527.418	Positive charged surface: 357.509	Negative charged surface: 164.508	Volume: 285
Hydrophobic surface: 489.16	Hydrophilic surface: 38.258

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.