MMsINC Database Search


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MMsINC code: MMs01231392

Type: Neutral
Formula: C₁₄H₁₁ClN₂O₂

SMILES:

Clc1cc(ccc1)C(=O)NNC(=O)c1ccccc1

InChI:

InChI=1/C14H11ClN2O2/c15-12-8-4-7-11(9-12)14(19)17-16-13(18)10-5-2-1-3-6-10/h1-9H,(H,16,18)(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.4001 kcal/mol

Physical Properties
Molecular Weight: 274.707 g/mol	logS: -4.31769	SlogP: 2.4148	Reactive groups: 0

Topological Properties
Globularity: 2.91722e-07	Sterimol/B1: 2.10004	Sterimol/B2: 2.10026	Sterimol/B3: 3.53133
Sterimol/B4: 5.40567	Sterimol/L: 16.5173

Surface and Volume Properties
Accessible surface: 495.332	Positive charged surface: 210.398	Negative charged surface: 284.934	Volume: 247.375
Hydrophobic surface: 403.142	Hydrophilic surface: 92.19

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