MMsINC Database Search


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MMsINC code: MMs00825373

Type: Ionized
Formula: C₁₅H₃₆NO₆P₂+

SMILES:

P(OCC)(OCC)(=O)C(C[NH+](CC)CC)CP(OCC)(OCC)=O

InChI:

InChI=1/C15H35NO6P2/c1-7-16(8-2)13-15(24(18,21-11-5)22-12-6)14-23(17,19-9-3)20-10-4/h15H,7-14H2,1-6H3/p+1/t15-/m0/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-29.1869 kcal/mol

Physical Properties
Molecular Weight: 388.402 g/mol	logS: -1.46898	SlogP: 0.6715	Reactive groups: 0

Topological Properties
Globularity: 0.205229	Sterimol/B1: 2.76853	Sterimol/B2: 5.21671	Sterimol/B3: 5.33444
Sterimol/B4: 6.33528	Sterimol/L: 14.518

Surface and Volume Properties
Accessible surface: 641.113	Positive charged surface: 483.876	Negative charged surface: 157.237	Volume: 380.5
Hydrophobic surface: 473.431	Hydrophilic surface: 167.682

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 1
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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Parent related molecule:

MMs00825372
CHEMBRIDGE-ZINC05008582