MMsINC Database Search


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MMsINC code: MMs03151690

Type: Neutral
Formula: C₂₃H₃₅FO

SMILES:

Fc1cc(ccc1O)C1CCC(CC1)C1CCC(CC1)CCCCC

InChI:

InChI=1/C23H35FO/c1-2-3-4-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-23(25)22(24)16-21/h14-20,25H,2-13H2,1H3/t17-,18-,19-,20+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.6145 kcal/mol

Physical Properties
Molecular Weight: 346.53 g/mol	logS: -9.83127	SlogP: 7.1918	Reactive groups: 0

Topological Properties
Globularity: 0.0716589	Sterimol/B1: 3.55519	Sterimol/B2: 4.38857	Sterimol/B3: 4.48823
Sterimol/B4: 6.87586	Sterimol/L: 19.078

Surface and Volume Properties
Accessible surface: 645.407	Positive charged surface: 467.861	Negative charged surface: 177.546	Volume: 373.625
Hydrophobic surface: 572.639	Hydrophilic surface: 72.768

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.