MMsINC Database Search


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MMsINC code: MMs03882511

Type: Neutral
Formula: C₁₉H₁₆ClN₃O

SMILES:

Clc1ccc(NC(=O)NN(c2ccccc2)c2ccccc2)cc1

InChI:

InChI=1/C19H16ClN3O/c20-15-11-13-16(14-12-15)21-19(24)22-23(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,(H2,21,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.0921 kcal/mol

Physical Properties
Molecular Weight: 337.81 g/mol	logS: -5.58307	SlogP: 5.2148	Reactive groups: 0

Topological Properties
Globularity: 0.147959	Sterimol/B1: 2.46003	Sterimol/B2: 3.01182	Sterimol/B3: 5.11296
Sterimol/B4: 9.43509	Sterimol/L: 16.0975

Surface and Volume Properties
Accessible surface: 580.153	Positive charged surface: 277.459	Negative charged surface: 302.694	Volume: 319.5
Hydrophobic surface: 527.888	Hydrophilic surface: 52.265

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.