MMsINC Database Search


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MMsINC code: MMs01737401

Type: Neutral
Formula: C₁₈H₁₆O₄

SMILES:

O1c2c(ccc(OC)c2C)C(=CC1=O)c1ccc(OC)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.5807 kcal/mol

Physical Properties
Molecular Weight: 296.322 g/mol	logS: -4.80972	SlogP: 3.18021	Reactive groups: 0

Topological Properties
Globularity: 0.053511	Sterimol/B1: 2.90063	Sterimol/B2: 3.99441	Sterimol/B3: 5.2671
Sterimol/B4: 6.16006	Sterimol/L: 15.2054

Surface and Volume Properties
Accessible surface: 536.731	Positive charged surface: 369.115	Negative charged surface: 167.616	Volume: 283.25
Hydrophobic surface: 462.873	Hydrophilic surface: 73.858

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.