MMsINC Database Search


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MMsINC code: MMs02282921

Type: Neutral
Formula: C₁₀H₁₄O₄

SMILES:

O(C)c1c(OC)cc(OC)cc1OC

InChI:

InChI=1/C10H14O4/c1-11-7-5-8(12-2)10(14-4)9(6-7)13-3/h5-6H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.4506 kcal/mol

Physical Properties
Molecular Weight: 198.218 g/mol	logS: -1.5864	SlogP: 1.721	Reactive groups: 0

Topological Properties
Globularity: 0.0582365	Sterimol/B1: 2.30673	Sterimol/B2: 2.44616	Sterimol/B3: 2.9445
Sterimol/B4: 7.35849	Sterimol/L: 10.77

Surface and Volume Properties
Accessible surface: 414.836	Positive charged surface: 364.415	Negative charged surface: 50.4209	Volume: 196.375
Hydrophobic surface: 383.158	Hydrophilic surface: 31.678

Pharmacophoric Properties
Hydrogen bond donors: 0	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.