MMsINC Database Search


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MMsINC code: MMs00135994

Type: Neutral
Formula: C₁₅H₁₁ClN₂O₃

SMILES:

Clc1ccc(NC(=O)CN2c3c(OC2=O)cccc3)cc1

InChI:

InChI=1/C15H11ClN2O3/c16-10-5-7-11(8-6-10)17-14(19)9-18-12-3-1-2-4-13(12)21-15(18)20/h1-8H,9H2,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.3343 kcal/mol

Physical Properties
Molecular Weight: 302.717 g/mol	logS: -4.78709	SlogP: 3.2975	Reactive groups: 0

Topological Properties
Globularity: 0.123086	Sterimol/B1: 2.48164	Sterimol/B2: 3.24515	Sterimol/B3: 4.58083
Sterimol/B4: 7.08141	Sterimol/L: 15.4401

Surface and Volume Properties
Accessible surface: 513.097	Positive charged surface: 246.929	Negative charged surface: 266.167	Volume: 262.125
Hydrophobic surface: 406.856	Hydrophilic surface: 106.241

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.