MMsINC Database Search


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MMsINC code: MMs03230245

Type: Neutral
Formula: C₁₅H₁₈NO₂P

SMILES:

[PH](O)(=O)C(NC(c1ccccc1)c1ccccc1)C

InChI:

InChI=1/C15H18NO2P/c1-12(19(17)18)16-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15-16,19H,1H3,(H,17,18)/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.9967 kcal/mol

Physical Properties
Molecular Weight: 275.288 g/mol	logS: -3.13365	SlogP: 2.2039	Reactive groups: 0

Topological Properties
Globularity: 0.298491	Sterimol/B1: 2.81608	Sterimol/B2: 4.90886	Sterimol/B3: 5.02727
Sterimol/B4: 6.26689	Sterimol/L: 12.2034

Surface and Volume Properties
Accessible surface: 506.988	Positive charged surface: 276.107	Negative charged surface: 230.881	Volume: 269.75
Hydrophobic surface: 397.489	Hydrophilic surface: 109.499

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: no related molecules available.