MMsINC Database Search


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MMsINC code: MMs00055173

Type: Neutral
Formula: C₁₅H₁₁ClN₂O₂

SMILES:

Clc1nc(cc2c1C(=O)N(Cc1ccccc1)C2=O)C

InChI:

InChI=1/C15H11ClN2O2/c1-9-7-11-12(13(16)17-9)15(20)18(14(11)19)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.0627 kcal/mol

Physical Properties
Molecular Weight: 286.718 g/mol	logS: -3.80343	SlogP: 3.10602	Reactive groups: 0

Topological Properties
Globularity: 0.108315	Sterimol/B1: 2.95951	Sterimol/B2: 3.30134	Sterimol/B3: 4.71093
Sterimol/B4: 6.31989	Sterimol/L: 14.2041

Surface and Volume Properties
Accessible surface: 491.386	Positive charged surface: 251.353	Negative charged surface: 240.033	Volume: 256.25
Hydrophobic surface: 399.931	Hydrophilic surface: 91.455

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.