MMsINC Database Search


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MMsINC code: MMs01077237

Type: Neutral
Formula: C₁₉H₁₄ClN₃O₂

SMILES:

Clc1ccc(NC(=O)c2ccccc2NC(=O)c2ncccc2)cc1

InChI:

InChI=1/C19H14ClN3O2/c20-13-8-10-14(11-9-13)22-18(24)15-5-1-2-6-16(15)23-19(25)17-7-3-4-12-21-17/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)=108.803 kcal/mol

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

Topological Properties
Globularity: 0.0306897	Sterimol/B1: 2.44413	Sterimol/B2: 2.97525	Sterimol/B3: 3.00235
Sterimol/B4: 10.5544	Sterimol/L: 15.887

Surface and Volume Properties
Accessible surface: 599.615	Positive charged surface: 311.052	Negative charged surface: 288.563	Volume: 316.625
Hydrophobic surface: 526.182	Hydrophilic surface: 73.433

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.