MMsINC Database Search


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MMsINC code: MMs01157203

Type: Neutral
Formula: C₂₄H₂₆ClFN₂O

SMILES:

Clc1ccc(cc1)-c1n(c(C)c(c1)C(=O)NCCCCCC)-c1cc(F)ccc1

InChI:

InChI=1/C24H26ClFN2O/c1-3-4-5-6-14-27-24(29)22-16-23(18-10-12-19(25)13-11-18)28(17(22)2)21-9-7-8-20(26)15-21/h7-13,15-16H,3-6,14H2,1-2H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.6404 kcal/mol

Physical Properties
Molecular Weight: 412.936 g/mol	logS: -7.50458	SlogP: 6.55532	Reactive groups: 0

Topological Properties
Globularity: 0.0238297	Sterimol/B1: 3.26399	Sterimol/B2: 3.83727	Sterimol/B3: 6.12478
Sterimol/B4: 6.58147	Sterimol/L: 20.9602

Surface and Volume Properties
Accessible surface: 721.227	Positive charged surface: 416.992	Negative charged surface: 304.235	Volume: 402.875
Hydrophobic surface: 651.064	Hydrophilic surface: 70.163

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.