MMsINC Database Search


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MMsINC code: MMs01316994

Type: Neutral
Formula: C₁₆H₂₇Cl₂N₂OP

SMILES:

ClC(Cl)(P(=O)(N(CC)CC)N(CC)CC)Cc1ccccc1

InChI:

InChI=1/C16H27Cl2N2OP/c1-5-19(6-2)22(21,20(7-3)8-4)16(17,18)14-15-12-10-9-11-13-15/h9-13H,5-8,14H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.615 kcal/mol

Physical Properties
Molecular Weight: 365.285 g/mol	logS: -3.42869	SlogP: 4.58687	Reactive groups: 0

Topological Properties
Globularity: 0.217455	Sterimol/B1: 2.48253	Sterimol/B2: 5.35215	Sterimol/B3: 6.05457
Sterimol/B4: 6.23132	Sterimol/L: 15.0229

Surface and Volume Properties
Accessible surface: 550.775	Positive charged surface: 331.84	Negative charged surface: 218.936	Volume: 344
Hydrophobic surface: 410.44	Hydrophilic surface: 140.335

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.