MMsINC Database Search


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MMsINC code: MMs01667645

Type: Neutral
Formula: C₂₀H₁₇Cl₂N₃O

SMILES:

Clc1cc(NC(=O)NN(Cc2ccccc2)c2ccccc2)ccc1Cl

InChI:

InChI=1/C20H17Cl2N3O/c21-18-12-11-16(13-19(18)22)23-20(26)24-25(17-9-5-2-6-10-17)14-15-7-3-1-4-8-15/h1-13H,14H2,(H2,23,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.348 kcal/mol

Physical Properties
Molecular Weight: 386.282 g/mol	logS: -6.2614	SlogP: 6.0031	Reactive groups: 0

Topological Properties
Globularity: 0.0666744	Sterimol/B1: 3.4533	Sterimol/B2: 3.59375	Sterimol/B3: 3.59959
Sterimol/B4: 7.63617	Sterimol/L: 18.0081

Surface and Volume Properties
Accessible surface: 618.82	Positive charged surface: 278.642	Negative charged surface: 340.178	Volume: 350.25
Hydrophobic surface: 563.325	Hydrophilic surface: 55.495

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.