MMsINC Database Search


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MMsINC code: MMs03861450

Type: Neutral
Formula: C₂₇H₂₆FNO₂

SMILES:

Fc1ccccc1C(=O)c1c2c(n(c1)CCOc1cc(ccc1C(C)C)C)cccc2

InChI:

InChI=1/C27H26FNO2/c1-18(2)20-13-12-19(3)16-26(20)31-15-14-29-17-23(21-8-5-7-11-25(21)29)27(30)22-9-4-6-10-24(22)28/h4-13,16-18H,14-15H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.768 kcal/mol

Physical Properties
Molecular Weight: 415.508 g/mol	logS: -7.44613	SlogP: 6.78862	Reactive groups: 0

Topological Properties
Globularity: 0.177929	Sterimol/B1: 2.11381	Sterimol/B2: 6.68148	Sterimol/B3: 6.80707
Sterimol/B4: 8.62037	Sterimol/L: 15.887

Surface and Volume Properties
Accessible surface: 743.596	Positive charged surface: 430.407	Negative charged surface: 307.713	Volume: 416.75
Hydrophobic surface: 667.571	Hydrophilic surface: 76.025

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.