MMsINC Database Search


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MMsINC code: MMs00497635

Type: Neutral
Formula: C₁₇H₁₈N₄O₄

SMILES:

O(C)c1ccc(cc1)-c1n(NC(=O)C)cc2N(C)C(=O)N(C)C(=O)c12

InChI:

InChI=1/C17H18N4O4/c1-10(22)18-21-9-13-14(16(23)20(3)17(24)19(13)2)15(21)11-5-7-12(25-4)8-6-11/h5-9H,1-4H3,(H,18,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.3921 kcal/mol

Physical Properties
Molecular Weight: 342.355 g/mol	logS: -2.80056	SlogP: 1.8955	Reactive groups: 0

Topological Properties
Globularity: 0.0429659	Sterimol/B1: 2.30966	Sterimol/B2: 2.57565	Sterimol/B3: 3.62866
Sterimol/B4: 11.29	Sterimol/L: 15.5143

Surface and Volume Properties
Accessible surface: 567.599	Positive charged surface: 405.121	Negative charged surface: 162.478	Volume: 311.125
Hydrophobic surface: 442.306	Hydrophilic surface: 125.293

Pharmacophoric Properties
Hydrogen bond donors: 1	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.