MMsINC Database Search


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MMsINC code: MMs02316697

Type: Ionized
Formula: C₁₄H₉ClNO₃-

SMILES:

Clc1cccc(C(=O)c2ccccc2C(=O)[O-])c1N

InChI:

InChI=1/C14H10ClNO3/c15-11-7-3-6-10(12(11)16)13(17)8-4-1-2-5-9(8)14(18)19/h1-7H,16H2,(H,18,19)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.576 kcal/mol

Physical Properties
Molecular Weight: 274.683 g/mol	logS: -4.14271	SlogP: 1.5167	Reactive groups: 0

Topological Properties
Globularity: 0.14677	Sterimol/B1: 2.19754	Sterimol/B2: 3.2587	Sterimol/B3: 5.09353
Sterimol/B4: 5.29816	Sterimol/L: 13.7769

Surface and Volume Properties
Accessible surface: 447.801	Positive charged surface: 194.436	Negative charged surface: 253.365	Volume: 239.375
Hydrophobic surface: 317.036	Hydrophilic surface: 130.765

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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:

MMs02316696
NCID-ZINC01683101