MMsINC Database Search


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MMsINC code: MMs01343726

Type: Neutral
Formula: C₂₃H₂₁ClFNO

SMILES:

Clc1cc(F)ccc1C(=O)N(CCc1ccccc1)CCc1ccccc1

InChI:

InChI=1/C23H21ClFNO/c24-22-17-20(25)11-12-21(22)23(27)26(15-13-18-7-3-1-4-8-18)16-14-19-9-5-2-6-10-19/h1-12,17H,13-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.195 kcal/mol

Physical Properties
Molecular Weight: 381.878 g/mol	logS: -6.11303	SlogP: 5.40664	Reactive groups: 0

Topological Properties
Globularity: 0.0645644	Sterimol/B1: 3.99582	Sterimol/B2: 4.39028	Sterimol/B3: 6.09895
Sterimol/B4: 6.13037	Sterimol/L: 16.0774

Surface and Volume Properties
Accessible surface: 639.531	Positive charged surface: 311.715	Negative charged surface: 327.816	Volume: 370.875
Hydrophobic surface: 619.101	Hydrophilic surface: 20.43

Pharmacophoric Properties
Hydrogen bond donors: 0	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.