MMsINC Database Search


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MMsINC code: MMs02764693

Type: Neutral
Formula: C₁₅H₁₂Cl₂N₂O₃

SMILES:

Clc1cc(NC(=O)c2ccc(NC(=O)C)cc2)cc(Cl)c1O

InChI:

InChI=1/C15H12Cl2N2O3/c1-8(20)18-10-4-2-9(3-5-10)15(22)19-11-6-12(16)14(21)13(17)7-11/h2-7,21H,1H3,(H,18,20)(H,19,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.8731 kcal/mol

Physical Properties
Molecular Weight: 339.178 g/mol	logS: -4.67095	SlogP: 3.9097	Reactive groups: 0

Topological Properties
Globularity: 0.0124663	Sterimol/B1: 2.70564	Sterimol/B2: 3.0184	Sterimol/B3: 3.98471
Sterimol/B4: 5.25154	Sterimol/L: 17.7958

Surface and Volume Properties
Accessible surface: 559.969	Positive charged surface: 257.889	Negative charged surface: 302.08	Volume: 283.125
Hydrophobic surface: 429.832	Hydrophilic surface: 130.137

Pharmacophoric Properties
Hydrogen bond donors: 3	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.