MMsINC Database Search


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MMsINC code: MMs00571584

Type: Neutral
Formula: C₁₈H₁₄ClN₃O₃

SMILES:

Clc1ccc(NC(=O)Cn2cc(c3c2cccc3)C(=O)C(=O)N)cc1

InChI:

InChI=1/C18H14ClN3O3/c19-11-5-7-12(8-6-11)21-16(23)10-22-9-14(17(24)18(20)25)13-3-1-2-4-15(13)22/h1-9H,10H2,(H2,20,25)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.585 kcal/mol

Physical Properties
Molecular Weight: 355.781 g/mol	logS: -4.88298	SlogP: 2.8678	Reactive groups: 0

Topological Properties
Globularity: 0.103441	Sterimol/B1: 2.77244	Sterimol/B2: 3.50116	Sterimol/B3: 4.97678
Sterimol/B4: 8.8577	Sterimol/L: 16.4777

Surface and Volume Properties
Accessible surface: 588.601	Positive charged surface: 293.854	Negative charged surface: 288.904	Volume: 314.5
Hydrophobic surface: 410.69	Hydrophilic surface: 177.911

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.