MMsINC Database Search


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MMsINC code: MMs02241844

Type: Neutral
Formula: C₁₉H₂₀O

SMILES:

O=C(C1(CCCCC1)c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H20O/c20-18(16-10-4-1-5-11-16)19(14-8-3-9-15-19)17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.565 kcal/mol

Physical Properties
Molecular Weight: 264.368 g/mol	logS: -5.36632	SlogP: 4.7714	Reactive groups: 0

Topological Properties
Globularity: 0.333111	Sterimol/B1: 2.91599	Sterimol/B2: 3.42586	Sterimol/B3: 4.12766
Sterimol/B4: 8.54581	Sterimol/L: 11.3697

Surface and Volume Properties
Accessible surface: 479.054	Positive charged surface: 296.233	Negative charged surface: 182.821	Volume: 277.5
Hydrophobic surface: 464.386	Hydrophilic surface: 14.668

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.