MMsINC Database Search


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MMsINC code: MMs01677858

Type: Neutral
Formula: C₁₉H₁₄ClN₃O₂

SMILES:

Clc1cc(NC(=O)c2ccccc2NC(=O)c2ncccc2)ccc1

InChI:

InChI=1/C19H14ClN3O2/c20-13-6-5-7-14(12-13)22-18(24)15-8-1-2-9-16(15)23-19(25)17-10-3-4-11-21-17/h1-12H,(H,22,24)(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.02 kcal/mol

Physical Properties
Molecular Weight: 351.793 g/mol	logS: -4.95393	SlogP: 4.2396	Reactive groups: 0

Topological Properties
Globularity: 0.0200455	Sterimol/B1: 2.42517	Sterimol/B2: 2.88773	Sterimol/B3: 2.89649
Sterimol/B4: 10.801	Sterimol/L: 15.7466

Surface and Volume Properties
Accessible surface: 594.754	Positive charged surface: 311.914	Negative charged surface: 282.84	Volume: 316.5
Hydrophobic surface: 519.279	Hydrophilic surface: 75.475

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.