MMsINC Database Search


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MMsINC code: MMs00908421

Type: Neutral
Formula: C₂₃H₁₈ClFN₂O

SMILES:

Clc1cccc(F)c1CN1c2c(cccc2)C(=NC(C)C1=O)c1ccccc1

InChI:

InChI=1/C23H18ClFN2O/c1-15-23(28)27(14-18-19(24)11-7-12-20(18)25)21-13-6-5-10-17(21)22(26-15)16-8-3-2-4-9-16/h2-13,15H,14H2,1H3/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.763 kcal/mol

Physical Properties
Molecular Weight: 392.861 g/mol	logS: -6.92178	SlogP: 5.5182	Reactive groups: 0

Topological Properties
Globularity: 0.60554	Sterimol/B1: 2.18171	Sterimol/B2: 2.6975	Sterimol/B3: 8.34856
Sterimol/B4: 9.41875	Sterimol/L: 12.4087

Surface and Volume Properties
Accessible surface: 588.168	Positive charged surface: 325.098	Negative charged surface: 263.07	Volume: 359.625
Hydrophobic surface: 542.52	Hydrophilic surface: 45.648

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.