MMsINC Database Search


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MMsINC code: MMs00169484

Type: Neutral
Formula: C₂₀H₁₄ClFN₂O

SMILES:

Clc1ccccc1C1Nc2c(cccc2)C(=O)N1c1ccc(F)cc1

InChI:

InChI=1/C20H14ClFN2O/c21-17-7-3-1-5-15(17)19-23-18-8-4-2-6-16(18)20(25)24(19)14-11-9-13(22)10-12-14/h1-12,19,23H/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.726 kcal/mol

Physical Properties
Molecular Weight: 352.796 g/mol	logS: -5.87208	SlogP: 5.3457	Reactive groups: 0

Topological Properties
Globularity: 0.23138	Sterimol/B1: 2.49419	Sterimol/B2: 3.23061	Sterimol/B3: 5.55626
Sterimol/B4: 7.50487	Sterimol/L: 14.4732

Surface and Volume Properties
Accessible surface: 535.213	Positive charged surface: 255.128	Negative charged surface: 280.085	Volume: 313.125
Hydrophobic surface: 494.753	Hydrophilic surface: 40.46

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.