MMsINC Database Search


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MMsINC code: MMs01163685

Type: Neutral
Formula: C₁₉H₂₄N₄O₃

SMILES:

O(CCNC(=O)CCN(C(=O)c1nccnc1)CCc1ccccc1)C

InChI:

InChI=1/C19H24N4O3/c1-26-14-11-22-18(24)8-13-23(12-7-16-5-3-2-4-6-16)19(25)17-15-20-9-10-21-17/h2-6,9-10,15H,7-8,11-14H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.614 kcal/mol

Physical Properties
Molecular Weight: 356.426 g/mol	logS: -1.08816	SlogP: 1.31417	Reactive groups: 0

Topological Properties
Globularity: 0.0530488	Sterimol/B1: 2.23452	Sterimol/B2: 3.64213	Sterimol/B3: 5.16866
Sterimol/B4: 8.59481	Sterimol/L: 18.405

Surface and Volume Properties
Accessible surface: 654.335	Positive charged surface: 493.822	Negative charged surface: 160.513	Volume: 353.125
Hydrophobic surface: 560.477	Hydrophilic surface: 93.858

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	Acid groups: 0	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.