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MMsINC code: MMs01838839

Type: Neutral
Formula: C₁₅H₁₈NO₂P

SMILES:

P(O)(=O)(C(N)c1ccccc1)CCc1ccccc1

InChI:

InChI=1/C15H18NO2P/c16-15(14-9-5-2-6-10-14)19(17,18)12-11-13-7-3-1-4-8-13/h1-10,15H,11-12,16H2,(H,17,18)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.5693 kcal/mol

Physical Properties
Molecular Weight: 275.288 g/mol	logS: -2.181	SlogP: 2.18227	Reactive groups: 0

Topological Properties
Globularity: 0.0505592	Sterimol/B1: 3.20309	Sterimol/B2: 3.58921	Sterimol/B3: 3.7071
Sterimol/B4: 3.77108	Sterimol/L: 16.8777

Surface and Volume Properties
Accessible surface: 520.46	Positive charged surface: 295.735	Negative charged surface: 224.725	Volume: 271.375
Hydrophobic surface: 416.449	Hydrophilic surface: 104.011

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

MMs01838840
IBS-ZINC02346150