MMsINC Database Search


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MMsINC code: MMs01735109

Type: Neutral
Formula: C₂₀H₁₆ClN₃O

SMILES:

Clc1cc2N(Cc3ccccc3)C(=O)N(c2nc1)Cc1ccccc1

InChI:

InChI=1/C20H16ClN3O/c21-17-11-18-19(22-12-17)24(14-16-9-5-2-6-10-16)20(25)23(18)13-15-7-3-1-4-8-15/h1-12H,13-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.6465 kcal/mol

Physical Properties
Molecular Weight: 349.821 g/mol	logS: -4.71778	SlogP: 5.4146	Reactive groups: 0

Topological Properties
Globularity: 0.0834972	Sterimol/B1: 3.04041	Sterimol/B2: 3.48427	Sterimol/B3: 4.57782
Sterimol/B4: 8.36984	Sterimol/L: 15.7538

Surface and Volume Properties
Accessible surface: 581.805	Positive charged surface: 318.344	Negative charged surface: 263.461	Volume: 328.5
Hydrophobic surface: 529.423	Hydrophilic surface: 52.382

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.