MMsINC Database Search


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MMsINC code: MMs02342890

Type: Neutral
Formula: C₁₆H₁₈NO₃P

SMILES:

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

InChI:

InChI=1/C16H18NO3P/c1-17(2)16(18)15(13-9-5-3-6-10-13)21(19,20)14-11-7-4-8-12-14/h3-12,15H,1-2H3,(H,19,20)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.8462 kcal/mol

Physical Properties
Molecular Weight: 303.298 g/mol	logS: -2.66998	SlogP: 1.4371	Reactive groups: 0

Topological Properties
Globularity: 0.217646	Sterimol/B1: 2.40578	Sterimol/B2: 2.77335	Sterimol/B3: 4.69297
Sterimol/B4: 7.9757	Sterimol/L: 14.635

Surface and Volume Properties
Accessible surface: 518.581	Positive charged surface: 317.915	Negative charged surface: 200.666	Volume: 289.125
Hydrophobic surface: 451.776	Hydrophilic surface: 66.805

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.