MMsINC Database Search


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MMsINC code: MMs02406996

Type: Neutral
Formula: C₂₀H₁₈O

SMILES:

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

InChI:

InChI=1/C20H18O/c1-21-19-14-12-18(13-15-19)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,20H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.751 kcal/mol

Physical Properties
Molecular Weight: 274.363 g/mol	logS: -5.1941	SlogP: 4.8754	Reactive groups: 0

Topological Properties
Globularity: 0.155829	Sterimol/B1: 3.87727	Sterimol/B2: 3.93871	Sterimol/B3: 5.3847
Sterimol/B4: 6.38045	Sterimol/L: 13.9366

Surface and Volume Properties
Accessible surface: 525.495	Positive charged surface: 323.321	Negative charged surface: 202.174	Volume: 290.125
Hydrophobic surface: 514.527	Hydrophilic surface: 10.968

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.