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MMsINC code: MMs02517013

Type: Neutral
Formula: C₁₈H₂₅Cl₂N₃O

SMILES:

Clc1cc(NC(=O)N(C)C2CCCCC2N2CCCC2)ccc1Cl

InChI:

InChI=1/C18H25Cl2N3O/c1-22(18(24)21-13-8-9-14(19)15(20)12-13)16-6-2-3-7-17(16)23-10-4-5-11-23/h8-9,12,16-17H,2-7,10-11H2,1H3,(H,21,24)/t16-,17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.5114 kcal/mol

Physical Properties
Molecular Weight: 370.324 g/mol	logS: -4.19697	SlogP: 4.8641	Reactive groups: 0

Topological Properties
Globularity: 0.16685	Sterimol/B1: 1.99899	Sterimol/B2: 3.7938	Sterimol/B3: 6.96959
Sterimol/B4: 7.28149	Sterimol/L: 15.9991

Surface and Volume Properties
Accessible surface: 603.301	Positive charged surface: 377.092	Negative charged surface: 226.209	Volume: 345.625
Hydrophobic surface: 580.69	Hydrophilic surface: 22.611

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

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

MMs02517014
NCID-ZINC06010252