MMsINC Database Search


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MMsINC code: MMs02005526

Type: Neutral
Formula: C₂₀H₁₈O₂

SMILES:

Oc1ccc(cc1)C(C)(c1ccc(O)cc1)c1ccccc1

InChI:

InChI=1/C20H18O2/c1-20(15-5-3-2-4-6-15,16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17/h2-14,21-22H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.971 kcal/mol

Physical Properties
Molecular Weight: 290.362 g/mol	logS: -4.93504	SlogP: 4.4521	Reactive groups: 0

Topological Properties
Globularity: 0.286179	Sterimol/B1: 1.969	Sterimol/B2: 5.11613	Sterimol/B3: 6.26614
Sterimol/B4: 6.35596	Sterimol/L: 13.059

Surface and Volume Properties
Accessible surface: 517.837	Positive charged surface: 305.805	Negative charged surface: 212.032	Volume: 294
Hydrophobic surface: 401.802	Hydrophilic surface: 116.035

Pharmacophoric Properties
Hydrogen bond donors: 2	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.