MMsINC Database Search


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MMsINC code: MMs01728098

Type: Neutral
Formula: C₂₀H₁₈O₃

SMILES:

Oc1ccc(cc1)C(C)(c1ccc(O)cc1)c1ccc(O)cc1

InChI:

InChI=1/C20H18O3/c1-20(14-2-8-17(21)9-3-14,15-4-10-18(22)11-5-15)16-6-12-19(23)13-7-16/h2-13,21-23H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.329 kcal/mol

Physical Properties
Molecular Weight: 306.361 g/mol	logS: -4.57309	SlogP: 4.1577	Reactive groups: 0

Topological Properties
Globularity: 0.289628	Sterimol/B1: 1.969	Sterimol/B2: 5.94186	Sterimol/B3: 6.42976
Sterimol/B4: 6.76992	Sterimol/L: 12.7901

Surface and Volume Properties
Accessible surface: 528.527	Positive charged surface: 317.29	Negative charged surface: 211.237	Volume: 297.25
Hydrophobic surface: 360.112	Hydrophilic surface: 168.415

Pharmacophoric Properties
Hydrogen bond donors: 3	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.