MMsINC Database Search


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MMsINC code: MMs02291248

Type: Ionized
Formula: C₁₄H₁₃N₂O₃S-

SMILES:

S(=O)([O-])(=[NH])c1ccc(NC(=O)c2ccccc2)cc1C

InChI:

InChI=1/C14H14N2O3S/c1-10-9-12(7-8-13(10)20(15,18)19)16-14(17)11-5-3-2-4-6-11/h2-9H,1H3,(H3,15,16,17,18,19)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.6418 kcal/mol

Physical Properties
Molecular Weight: 289.335 g/mol	logS: -3.76634	SlogP: 2.21892	Reactive groups: 0

Topological Properties
Globularity: 0.031753	Sterimol/B1: 2.26419	Sterimol/B2: 2.86245	Sterimol/B3: 3.30558
Sterimol/B4: 6.06397	Sterimol/L: 16.0982

Surface and Volume Properties
Accessible surface: 499.372	Positive charged surface: 227.867	Negative charged surface: 271.506	Volume: 257.125
Hydrophobic surface: 360.333	Hydrophilic surface: 139.039

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	Acid groups: 3	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:

MMs02291247
NCID-ZINC01651963