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MMsINC code: MMs02958316

Type: Neutral
Formula: C₁₉H₃₀ClN₃S

SMILES:

Clc1ccc(NC(=S)N(C(C)C)C2CCN(CC2)C(C)C)cc1C

InChI:

InChI=1/C19H30ClN3S/c1-13(2)22-10-8-17(9-11-22)23(14(3)4)19(24)21-16-6-7-18(20)15(5)12-16/h6-7,12-14,17H,8-11H2,1-5H3,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.535 kcal/mol

Physical Properties
Molecular Weight: 367.989 g/mol	logS: -5.42965	SlogP: 4.92842	Reactive groups: 0

Topological Properties
Globularity: 0.148573	Sterimol/B1: 2.50945	Sterimol/B2: 4.60556	Sterimol/B3: 5.31307
Sterimol/B4: 7.40108	Sterimol/L: 15.6956

Surface and Volume Properties
Accessible surface: 623.996	Positive charged surface: 375.722	Negative charged surface: 248.274	Volume: 367.875
Hydrophobic surface: 504.736	Hydrophilic surface: 119.26

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

MMs02958317
PUBCHEM-ZINC02912831