MMsINC Database Search


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MMsINC code: MMs01989748

Type: Ionized
Formula: C₁₁H₁₇N₂O₄-

SMILES:

O=C(N1CCN(CC1)C(=O)C)CCCC(=O)[O-]

InChI:

InChI=1/C11H18N2O4/c1-9(14)12-5-7-13(8-6-12)10(15)3-2-4-11(16)17/h2-8H2,1H3,(H,16,17)/p-1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.9603 kcal/mol

Physical Properties
Molecular Weight: 241.267 g/mol	logS: -0.1018	SlogP: -1.4027	Reactive groups: 0

Topological Properties
Globularity: 0.0479224	Sterimol/B1: 2.14125	Sterimol/B2: 3.0659	Sterimol/B3: 3.30477
Sterimol/B4: 5.74958	Sterimol/L: 15.6426

Surface and Volume Properties
Accessible surface: 466.353	Positive charged surface: 313.509	Negative charged surface: 152.844	Volume: 227
Hydrophobic surface: 293.584	Hydrophilic surface: 172.769

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 2	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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Parent related molecule:

MMs01989747
IFLAB-ZINC02456520