MMsINC Database Search


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MMsINC code: MMs00141332

Type: Neutral
Formula: C₁₅H₁₀Cl₂N₂O₃

SMILES:

Clc1ccc(Cl)cc1NC(=O)CN1c2c(OC1=O)cccc2

InChI:

InChI=1/C15H10Cl2N2O3/c16-9-5-6-10(17)11(7-9)18-14(20)8-19-12-3-1-2-4-13(12)22-15(19)21/h1-7H,8H2,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.9763 kcal/mol

Physical Properties
Molecular Weight: 337.162 g/mol	logS: -5.52138	SlogP: 3.9509	Reactive groups: 0

Topological Properties
Globularity: 0.138964	Sterimol/B1: 2.55377	Sterimol/B2: 4.63607	Sterimol/B3: 5.18909
Sterimol/B4: 7.11346	Sterimol/L: 14.3699

Surface and Volume Properties
Accessible surface: 535.303	Positive charged surface: 225.281	Negative charged surface: 310.022	Volume: 279.25
Hydrophobic surface: 435.996	Hydrophilic surface: 99.307

Pharmacophoric Properties
Hydrogen bond donors: 1	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.