MMsINC Database Search


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MMsINC code: MMs02266309

Type: Neutral
Formula: C₁₈H₁₄O₄

SMILES:

o1c2c(cc1-c1oc3c(c1)cc(OC)cc3)cc(OC)cc2

InChI:

InChI=1/C18H14O4/c1-19-13-3-5-15-11(7-13)9-17(21-15)18-10-12-8-14(20-2)4-6-16(12)22-18/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.8874 kcal/mol

Physical Properties
Molecular Weight: 294.306 g/mol	logS: -6.74028	SlogP: 4.8632	Reactive groups: 0

Topological Properties
Globularity: 0.00334745	Sterimol/B1: 2.37405	Sterimol/B2: 2.37737	Sterimol/B3: 3.85058
Sterimol/B4: 4.3329	Sterimol/L: 20.1051

Surface and Volume Properties
Accessible surface: 547.107	Positive charged surface: 364.537	Negative charged surface: 170.113	Volume: 279.125
Hydrophobic surface: 512.406	Hydrophilic surface: 34.701

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.