MMsINC Database Search


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MMsINC code: MMs01000351

Type: Neutral
Formula: C₂₃H₁₈ClFN₂O

SMILES:

Clc1ccc(cc1)C1=Nc2c(N(C(=O)C)C(C1)c1ccc(F)cc1)cccc2

InChI:

InChI=1/C23H18ClFN2O/c1-15(28)27-22-5-3-2-4-20(22)26-21(16-6-10-18(24)11-7-16)14-23(27)17-8-12-19(25)13-9-17/h2-13,23H,14H2,1H3/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=151.643 kcal/mol

Physical Properties
Molecular Weight: 392.861 g/mol	logS: -6.53981	SlogP: 6.1933	Reactive groups: 0

Topological Properties
Globularity: 0.354779	Sterimol/B1: 1.969	Sterimol/B2: 2.64451	Sterimol/B3: 7.55375
Sterimol/B4: 8.91333	Sterimol/L: 14.9981

Surface and Volume Properties
Accessible surface: 592.727	Positive charged surface: 284.942	Negative charged surface: 307.785	Volume: 359.625
Hydrophobic surface: 559.263	Hydrophilic surface: 33.464

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.