MMsINC Database Search


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MMsINC code: MMs00271013

Type: Neutral
Formula: C₁₅H₁₅N₃O₃

SMILES:

O(C)c1ccc(NC(=O)C(=O)NCc2cccnc2)cc1

InChI:

InChI=1/C15H15N3O3/c1-21-13-6-4-12(5-7-13)18-15(20)14(19)17-10-11-3-2-8-16-9-11/h2-9H,10H2,1H3,(H,17,19)(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.837 kcal/mol

Physical Properties
Molecular Weight: 285.303 g/mol	logS: -2.31968	SlogP: 1.6115	Reactive groups: 0

Topological Properties
Globularity: 0.0359619	Sterimol/B1: 3.22453	Sterimol/B2: 3.2874	Sterimol/B3: 4.1416
Sterimol/B4: 4.86476	Sterimol/L: 18.6555

Surface and Volume Properties
Accessible surface: 546.996	Positive charged surface: 375.508	Negative charged surface: 171.487	Volume: 266.625
Hydrophobic surface: 415.996	Hydrophilic surface: 131

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.