MMsINC Database Search


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MMsINC code: MMs03707880

Type: Neutral
Formula: C₁₀H₁₆NO₂P

SMILES:

P(OC)(=O)(C(N)Cc1ccccc1)C

InChI:

InChI=1/C10H16NO2P/c1-13-14(2,12)10(11)8-9-6-4-3-5-7-9/h3-7,10H,8,11H2,1-2H3/t10-,14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.5792 kcal/mol

Physical Properties
Molecular Weight: 213.217 g/mol	logS: -0.75828	SlogP: 0.99797	Reactive groups: 0

Topological Properties
Globularity: 0.223645	Sterimol/B1: 2.23152	Sterimol/B2: 2.28867	Sterimol/B3: 4.92436
Sterimol/B4: 6.19233	Sterimol/L: 11.4071

Surface and Volume Properties
Accessible surface: 413.878	Positive charged surface: 284.247	Negative charged surface: 129.631	Volume: 210.5
Hydrophobic surface: 329.067	Hydrophilic surface: 84.811

Pharmacophoric Properties
Hydrogen bond donors: 1	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.