MMsINC Database Search


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MMsINC code: MMs02053426

Type: Neutral
Formula: C₁₄H₁₁ClN₂O₃S₂

SMILES:

Clc1sc(cc1)C(=O)Nc1sc2cc(OC)c(OC)cc2n1

InChI:

InChI=1/C14H11ClN2O3S2/c1-19-8-5-7-11(6-9(8)20-2)22-14(16-7)17-13(18)10-3-4-12(15)21-10/h3-6H,1-2H3,(H,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.982 kcal/mol

Physical Properties
Molecular Weight: 354.838 g/mol	logS: -5.5947	SlogP: 4.2807	Reactive groups: 0

Topological Properties
Globularity: 0.0049662	Sterimol/B1: 2.21475	Sterimol/B2: 2.37434	Sterimol/B3: 2.38199
Sterimol/B4: 7.76431	Sterimol/L: 18.673

Surface and Volume Properties
Accessible surface: 569.617	Positive charged surface: 300.977	Negative charged surface: 268.64	Volume: 290.75
Hydrophobic surface: 479.249	Hydrophilic surface: 90.368

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.