MMsINC Database Search


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MMsINC code: MMs02372247

Type: Neutral
Formula: C₁₇H₂₀O₂

SMILES:

Oc1ccc(O)cc1CC(Cc1ccccc1)(C)C

InChI:

InChI=1/C17H20O2/c1-17(2,11-13-6-4-3-5-7-13)12-14-10-15(18)8-9-16(14)19/h3-10,18-19H,11-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.0581 kcal/mol

Physical Properties
Molecular Weight: 256.345 g/mol	logS: -4.38449	SlogP: 3.90914	Reactive groups: 0

Topological Properties
Globularity: 0.114368	Sterimol/B1: 2.89959	Sterimol/B2: 3.04101	Sterimol/B3: 3.81121
Sterimol/B4: 5.6003	Sterimol/L: 14.2069

Surface and Volume Properties
Accessible surface: 483.775	Positive charged surface: 295.637	Negative charged surface: 188.138	Volume: 267.125
Hydrophobic surface: 371.997	Hydrophilic surface: 111.778

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.