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MMsINC code: MMs02345756

Type: Neutral
Formula: C₉H₁₄NO₃P

SMILES:

P(O)(O)(=O)C(Cc1ccccc1)CN

InChI:

InChI=1/C9H14NO3P/c10-7-9(14(11,12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7,10H2,(H2,11,12,13)/t9-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-17.6858 kcal/mol

Physical Properties
Molecular Weight: 215.189 g/mol	logS: -0.44175	SlogP: -0.33613	Reactive groups: 0

Topological Properties
Globularity: 0.170555	Sterimol/B1: 3.25341	Sterimol/B2: 3.42345	Sterimol/B3: 4.06437
Sterimol/B4: 4.39631	Sterimol/L: 11.9346

Surface and Volume Properties
Accessible surface: 409.518	Positive charged surface: 249.631	Negative charged surface: 159.887	Volume: 196
Hydrophobic surface: 229.741	Hydrophilic surface: 179.777

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02345757
NCID-ZINC01720852