MMsINC Database Search


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MMsINC code: MMs00139157

Type: Neutral
Formula: C₁₅H₁₄ClN₅O₃

SMILES:

Clc1ccc(NC(=O)Cn2c3c(nc2)N(C)C(=O)N(C)C3=O)cc1

InChI:

InChI=1/C15H14ClN5O3/c1-19-13-12(14(23)20(2)15(19)24)21(8-17-13)7-11(22)18-10-5-3-9(16)4-6-10/h3-6,8H,7H2,1-2H3,(H,18,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.054 kcal/mol

Physical Properties
Molecular Weight: 347.762 g/mol	logS: -3.41905	SlogP: 2.0834	Reactive groups: 0

Topological Properties
Globularity: 0.121485	Sterimol/B1: 3.22481	Sterimol/B2: 3.98842	Sterimol/B3: 5.23134
Sterimol/B4: 6.10504	Sterimol/L: 16.3532

Surface and Volume Properties
Accessible surface: 567.842	Positive charged surface: 363.514	Negative charged surface: 204.328	Volume: 298.375
Hydrophobic surface: 444.825	Hydrophilic surface: 123.017

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.