MMsINC Database Search


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MMsINC code: MMs02523188

Type: Neutral
Formula: C₁₇H₁₄Cl₂N₆O₂

SMILES:

Clc1cc(Cl)ccc1Cn1c2c(nc1-n1ccnc1)N(C)C(=O)N(C)C2=O

InChI:

InChI=1/C17H14Cl2N6O2/c1-22-14-13(15(26)23(2)17(22)27)25(16(21-14)24-6-5-20-9-24)8-10-3-4-11(18)7-12(10)19/h3-7,9H,8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.9124 kcal/mol

Physical Properties
Molecular Weight: 405.245 g/mol	logS: -4.84864	SlogP: 3.3321	Reactive groups: 0

Topological Properties
Globularity: 0.146742	Sterimol/B1: 2.98864	Sterimol/B2: 3.60008	Sterimol/B3: 5.06257
Sterimol/B4: 8.45856	Sterimol/L: 13.0684

Surface and Volume Properties
Accessible surface: 577.121	Positive charged surface: 347.811	Negative charged surface: 229.31	Volume: 335.25
Hydrophobic surface: 460.1	Hydrophilic surface: 117.021

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.