MMsINC Database Search


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MMsINC code: MMs01532298

Type: Neutral
Formula: C₁₄H₂₃Cl₂N₄O₂P

SMILES:

Clc1cc(Cl)ccc1OCC(=O)N=P(N(C)C)(N(C)C)N(C)C

InChI:

InChI=1/C14H23Cl2N4O2P/c1-18(2)23(19(3)4,20(5)6)17-14(21)10-22-13-8-7-11(15)9-12(13)16/h7-9H,10H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.7673 kcal/mol

Physical Properties
Molecular Weight: 381.244 g/mol	logS: -2.06215	SlogP: 3.6349	Reactive groups: 0

Topological Properties
Globularity: 0.147139	Sterimol/B1: 2.6129	Sterimol/B2: 3.27898	Sterimol/B3: 5.45055
Sterimol/B4: 6.88103	Sterimol/L: 17.056

Surface and Volume Properties
Accessible surface: 601.745	Positive charged surface: 409.221	Negative charged surface: 192.524	Volume: 337.875
Hydrophobic surface: 587.76	Hydrophilic surface: 13.985

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 1	Basic groups: 0
Chiral centers: 0

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.