MMsINC Database Search


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MMsINC code: MMs00666113

Type: Neutral
Formula: C₁₇H₁₁Cl₂N₅O

SMILES:

Clc1cccc(Cl)c1Cn1c2ncnc(Oc3cccnc3)c2nc1

InChI:

InChI=1/C17H11Cl2N5O/c18-13-4-1-5-14(19)12(13)8-24-10-23-15-16(24)21-9-22-17(15)25-11-3-2-6-20-7-11/h1-7,9-10H,8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.1289 kcal/mol

Physical Properties
Molecular Weight: 372.215 g/mol	logS: -5.43826	SlogP: 4.6351	Reactive groups: 0

Topological Properties
Globularity: 0.0949195	Sterimol/B1: 2.8755	Sterimol/B2: 3.09428	Sterimol/B3: 5.14342
Sterimol/B4: 6.31737	Sterimol/L: 16.0777

Surface and Volume Properties
Accessible surface: 563.541	Positive charged surface: 342.07	Negative charged surface: 221.471	Volume: 314.5
Hydrophobic surface: 470.766	Hydrophilic surface: 92.775

Pharmacophoric Properties
Hydrogen bond donors: 0	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.