MMsINC Database Search


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MMsINC code: MMs02122796

Type: Neutral
Formula: C₂₁H₂₀ClFN₂O₂

SMILES:

Clc1cccc(F)c1-c1noc(C)c1C(=O)Nc1cc(C)c(cc1)C(C)C

InChI:

InChI=1/C21H20ClFN2O2/c1-11(2)15-9-8-14(10-12(15)3)24-21(26)18-13(4)27-25-20(18)19-16(22)6-5-7-17(19)23/h5-11H,1-4H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.762 kcal/mol

Physical Properties
Molecular Weight: 386.854 g/mol	logS: -7.71734	SlogP: 6.12664	Reactive groups: 0

Topological Properties
Globularity: 0.0977358	Sterimol/B1: 2.39323	Sterimol/B2: 3.98174	Sterimol/B3: 5.5665
Sterimol/B4: 8.48526	Sterimol/L: 15.8656

Surface and Volume Properties
Accessible surface: 639.134	Positive charged surface: 328.434	Negative charged surface: 310.7	Volume: 355.625
Hydrophobic surface: 551.463	Hydrophilic surface: 87.671

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.