MMsINC Database Search


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MMsINC code: MMs01806600

Type: Neutral
Formula: C₁₄H₁₅ClNO₂P

SMILES:

Clc1ccc(cc1)C([PH](O)=O)NCc1ccccc1

InChI:

InChI=1/C14H15ClNO2P/c15-13-8-6-12(7-9-13)14(19(17)18)16-10-11-4-2-1-3-5-11/h1-9,14,16,19H,10H2,(H,17,18)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.796 kcal/mol

Physical Properties
Molecular Weight: 295.706 g/mol	logS: -3.54073	SlogP: 2.8871	Reactive groups: 0

Topological Properties
Globularity: 0.105028	Sterimol/B1: 3.42782	Sterimol/B2: 3.75344	Sterimol/B3: 3.79862
Sterimol/B4: 6.99084	Sterimol/L: 14.8909

Surface and Volume Properties
Accessible surface: 522.821	Positive charged surface: 239.881	Negative charged surface: 282.94	Volume: 267.625
Hydrophobic surface: 433.246	Hydrophilic surface: 89.575

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.