MMsINC Database Search


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MMsINC code: MMs00920822

Type: Neutral
Formula: C₁₅H₁₁ClN₂O₂

SMILES:

Clc1cc2c(NC(=O)N(Cc3ccccc3)C2=O)cc1

InChI:

InChI=1/C15H11ClN2O2/c16-11-6-7-13-12(8-11)14(19)18(15(20)17-13)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=19.8052 kcal/mol

Physical Properties
Molecular Weight: 286.718 g/mol	logS: -4.3341	SlogP: 3.7943	Reactive groups: 0

Topological Properties
Globularity: 0.115126	Sterimol/B1: 2.24417	Sterimol/B2: 4.01841	Sterimol/B3: 5.03431
Sterimol/B4: 5.23447	Sterimol/L: 13.7969

Surface and Volume Properties
Accessible surface: 483.925	Positive charged surface: 235.916	Negative charged surface: 248.009	Volume: 253.75
Hydrophobic surface: 391.3	Hydrophilic surface: 92.625

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.