MMsINC Database Search


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MMsINC code: MMs02544376

Type: Neutral
Formula: C₁₀H₁₄O₄

SMILES:

O(C)c1cc(OC)cc(OC)c1CO

InChI:

InChI=1/C10H14O4/c1-12-7-4-9(13-2)8(6-11)10(5-7)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)=58.9023 kcal/mol

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

Topological Properties
Globularity: 0.0514305	Sterimol/B1: 2.46522	Sterimol/B2: 2.58011	Sterimol/B3: 2.74257
Sterimol/B4: 7.12599	Sterimol/L: 10.7817

Surface and Volume Properties
Accessible surface: 418.457	Positive charged surface: 358.029	Negative charged surface: 60.4278	Volume: 192.25
Hydrophobic surface: 338.469	Hydrophilic surface: 79.988

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.