MMsINC Database Search


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MMsINC code: MMs01728094

Type: Neutral
Formula: C₂₀H₁₈O

SMILES:

O(C(c1ccccc1)(c1ccccc1)c1ccccc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.488 kcal/mol

Physical Properties
Molecular Weight: 274.363 g/mol	logS: -5.03688	SlogP: 4.9364	Reactive groups: 0

Topological Properties
Globularity: 0.42992	Sterimol/B1: 2.55584	Sterimol/B2: 5.47985	Sterimol/B3: 6.10849
Sterimol/B4: 6.95984	Sterimol/L: 11.5503

Surface and Volume Properties
Accessible surface: 500.945	Positive charged surface: 307.803	Negative charged surface: 193.142	Volume: 286.125
Hydrophobic surface: 500.522	Hydrophilic surface: 0.423

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.