MMsINC Database Search


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MMsINC code: MMs02121504

Type: Neutral
Formula: C₂₄H₂₁ClFNO₂

SMILES:

Clc1cccc(F)c1COc1ccc(cc1)\C=C\C(=O)NCc1ccc(cc1)C

InChI:

InChI=1/C24H21ClFNO2/c1-17-5-7-19(8-6-17)15-27-24(28)14-11-18-9-12-20(13-10-18)29-16-21-22(25)3-2-4-23(21)26/h2-14H,15-16H2,1H3,(H,27,28)/b14-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.7258 kcal/mol

Physical Properties
Molecular Weight: 409.888 g/mol	logS: -7.1262	SlogP: 6.22892	Reactive groups: 0

Topological Properties
Globularity: 0.0304916	Sterimol/B1: 2.09151	Sterimol/B2: 3.87539	Sterimol/B3: 4.73503
Sterimol/B4: 8.32757	Sterimol/L: 23.1412

Surface and Volume Properties
Accessible surface: 734.604	Positive charged surface: 372.187	Negative charged surface: 362.418	Volume: 388.25
Hydrophobic surface: 668.446	Hydrophilic surface: 66.158

Pharmacophoric Properties
Hydrogen bond donors: 1	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.