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MMsINC code: MMs01448464

Type: Neutral
Formula: C₁₄H₁₆ClN₃O₃S

SMILES:

Clc1ccc(cc1S(=O)(=O)N)C(=O)NCc1n(C)c(cc1)C

InChI:

InChI=1/C14H16ClN3O3S/c1-9-3-5-11(18(9)2)8-17-14(19)10-4-6-12(15)13(7-10)22(16,20)21/h3-7H,8H2,1-2H3,(H,17,19)(H2,16,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=8.64441 kcal/mol

Physical Properties
Molecular Weight: 341.819 g/mol	logS: -3.06335	SlogP: 2.18992	Reactive groups: 0

Topological Properties
Globularity: 0.0712384	Sterimol/B1: 3.50694	Sterimol/B2: 3.6283	Sterimol/B3: 4.31048
Sterimol/B4: 5.2329	Sterimol/L: 17.127

Surface and Volume Properties
Accessible surface: 560.739	Positive charged surface: 297.753	Negative charged surface: 262.987	Volume: 293.875
Hydrophobic surface: 385.999	Hydrophilic surface: 174.74

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs01448465
ENAMINE-ZINC03447830