MMsINC Database Search


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MMsINC code: MMs01966653

Type: Neutral
Formula: C₁₈H₂₅N₃O₅

SMILES:

O(CC)C(=O)N1CCN(CC1)C(=O)NC(Cc1ccccc1)C(OC)=O

InChI:

InChI=1/C18H25N3O5/c1-3-26-18(24)21-11-9-20(10-12-21)17(23)19-15(16(22)25-2)13-14-7-5-4-6-8-14/h4-8,15H,3,9-13H2,1-2H3,(H,19,23)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.8477 kcal/mol

Physical Properties
Molecular Weight: 363.414 g/mol	logS: -2.35533	SlogP: 1.25437	Reactive groups: 0

Topological Properties
Globularity: 0.105083	Sterimol/B1: 2.29808	Sterimol/B2: 5.82839	Sterimol/B3: 6.10206
Sterimol/B4: 7.04206	Sterimol/L: 16.7087

Surface and Volume Properties
Accessible surface: 653.791	Positive charged surface: 479.366	Negative charged surface: 174.425	Volume: 349
Hydrophobic surface: 536.648	Hydrophilic surface: 117.143

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: no related molecules available.