MMsINC Database Search


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MMsINC code: MMs02247628

Type: Ionized
Formula: C₁₄H₁₀ClO₂-

SMILES:

ClC(C(=O)[O-])(c1ccccc1)c1ccccc1

InChI:

InChI=1/C14H11ClO2/c15-14(13(16)17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,16,17)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.389 kcal/mol

Physical Properties
Molecular Weight: 245.685 g/mol	logS: -4.14791	SlogP: 2.2304	Reactive groups: 0

Topological Properties
Globularity: 0.157937	Sterimol/B1: 3.02953	Sterimol/B2: 3.75467	Sterimol/B3: 4.02383
Sterimol/B4: 6.49337	Sterimol/L: 12.1164

Surface and Volume Properties
Accessible surface: 435.133	Positive charged surface: 190.154	Negative charged surface: 244.979	Volume: 227.25
Hydrophobic surface: 324.032	Hydrophilic surface: 111.101

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs02247627
NCID-ZINC01593284