MMsINC Database Search


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MMsINC code: MMs02404633

Type: Neutral
Formula: C₁₄H₁₁ClN₂O₃

SMILES:

Clc1ccccc1NC(=O)Nc1ccc(cc1)C(O)=O

InChI:

InChI=1/C14H11ClN2O3/c15-11-3-1-2-4-12(11)17-14(20)16-10-7-5-9(6-8-10)13(18)19/h1-8H,(H,18,19)(H2,16,17,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.2147 kcal/mol

Physical Properties
Molecular Weight: 290.706 g/mol	logS: -3.95574	SlogP: 3.6822	Reactive groups: 0

Topological Properties
Globularity: 0.0124289	Sterimol/B1: 2.52928	Sterimol/B2: 2.55626	Sterimol/B3: 2.62915
Sterimol/B4: 6.51187	Sterimol/L: 15.999

Surface and Volume Properties
Accessible surface: 500.281	Positive charged surface: 247.94	Negative charged surface: 252.341	Volume: 251
Hydrophobic surface: 350.874	Hydrophilic surface: 149.407

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs02404634
NCID-ZINC04776659