MMsINC Database Search


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MMsINC code: MMs00963022

Type: Neutral
Formula: C₂₃H₁₈ClFN₂O₂

SMILES:

Clc1cc(F)ccc1CN1c2c(cccc2)C(=O)N(c2ccc(cc2)CC)C1=O

InChI:

InChI=1/C23H18ClFN2O2/c1-2-15-7-11-18(12-8-15)27-22(28)19-5-3-4-6-21(19)26(23(27)29)14-16-9-10-17(25)13-20(16)24/h3-13H,2,14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.725 kcal/mol

Physical Properties
Molecular Weight: 408.86 g/mol	logS: -7.33609	SlogP: 6.09487	Reactive groups: 0

Topological Properties
Globularity: 0.0950283	Sterimol/B1: 3.64777	Sterimol/B2: 4.00407	Sterimol/B3: 5.63401
Sterimol/B4: 7.15781	Sterimol/L: 15.8113

Surface and Volume Properties
Accessible surface: 629.79	Positive charged surface: 339.667	Negative charged surface: 290.122	Volume: 365.125
Hydrophobic surface: 553.871	Hydrophilic surface: 75.919

Pharmacophoric Properties
Hydrogen bond donors: 0	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.