MMsINC Database Search


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MMsINC code: MMs02702087

Type: Neutral
Formula: C₁₅H₁₀ClN₃O

SMILES:

Clc1ncccc1C(=O)Nc1c2ncccc2ccc1

InChI:

InChI=1/C15H10ClN3O/c16-14-11(6-3-9-18-14)15(20)19-12-7-1-4-10-5-2-8-17-13(10)12/h1-9H,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.2636 kcal/mol

Physical Properties
Molecular Weight: 283.718 g/mol	logS: -3.73082	SlogP: 3.5355	Reactive groups: 0

Topological Properties
Globularity: 0.0128717	Sterimol/B1: 2.1286	Sterimol/B2: 2.54894	Sterimol/B3: 3.46729
Sterimol/B4: 7.3988	Sterimol/L: 14.8176

Surface and Volume Properties
Accessible surface: 484.66	Positive charged surface: 266.344	Negative charged surface: 212.781	Volume: 250.875
Hydrophobic surface: 422.909	Hydrophilic surface: 61.751

Pharmacophoric Properties
Hydrogen bond donors: 1	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.