MMsINC Database Search


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MMsINC code: MMs02542982

Type: Neutral
Formula: C₁₀H₁₄O₄

SMILES:

O(C)c1c(OC)c(OC)ccc1CO

InChI:

InChI=1/C10H14O4/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-5,11H,6H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.6852 kcal/mol

Physical Properties
Molecular Weight: 198.218 g/mol	logS: -1.30704	SlogP: 1.4711	Reactive groups: 0

Topological Properties
Globularity: 0.116194	Sterimol/B1: 2.76652	Sterimol/B2: 3.31589	Sterimol/B3: 3.57593
Sterimol/B4: 6.33011	Sterimol/L: 11.2226

Surface and Volume Properties
Accessible surface: 412.054	Positive charged surface: 347.092	Negative charged surface: 64.9619	Volume: 192
Hydrophobic surface: 339.811	Hydrophilic surface: 72.243

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