MMsINC Database Search


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MMsINC code: MMs01803730

Type: Neutral
Formula: C₁₈H₁₁ClN₄O₂

SMILES:

Clc1ncccc1C(=O)Nc1cc2nc(oc2cc1)-c1cccnc1

InChI:

InChI=1/C18H11ClN4O2/c19-16-13(4-2-8-21-16)17(24)22-12-5-6-15-14(9-12)23-18(25-15)11-3-1-7-20-10-11/h1-10H,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.9622 kcal/mol

Physical Properties
Molecular Weight: 350.765 g/mol	logS: -5.19981	SlogP: 4.1905	Reactive groups: 0

Topological Properties
Globularity: 0.00859026	Sterimol/B1: 2.76045	Sterimol/B2: 3.2207	Sterimol/B3: 4.2362
Sterimol/B4: 4.34163	Sterimol/L: 19.8917

Surface and Volume Properties
Accessible surface: 575.147	Positive charged surface: 338.351	Negative charged surface: 236.796	Volume: 305
Hydrophobic surface: 468.642	Hydrophilic surface: 106.505

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.