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MMsINC code: MMs01084081

Type: Neutral
Formula: C₁₆H₁₆Cl₂N₄OS

SMILES:

Clc1cc(NC(C(=O)NNC(=S)Nc2ccccc2)C)ccc1Cl

InChI:

InChI=1/C16H16Cl2N4OS/c1-10(19-12-7-8-13(17)14(18)9-12)15(23)21-22-16(24)20-11-5-3-2-4-6-11/h2-10,19H,1H3,(H,21,23)(H2,20,22,24)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.66 kcal/mol

Physical Properties
Molecular Weight: 383.303 g/mol	logS: -6.13434	SlogP: 3.8116	Reactive groups: 0

Topological Properties
Globularity: 0.0270824	Sterimol/B1: 2.09854	Sterimol/B2: 4.73731	Sterimol/B3: 5.21016
Sterimol/B4: 5.61218	Sterimol/L: 19.7652

Surface and Volume Properties
Accessible surface: 628.654	Positive charged surface: 270.585	Negative charged surface: 358.069	Volume: 330
Hydrophobic surface: 459.918	Hydrophilic surface: 168.736

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.