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MMsINC code: MMs00565300

Type: Neutral
Formula: C₁₇H₁₇N₃O₃

SMILES:

O=C1C(C(=O)C)C(N(CCc2nc[nH]c2)C1=O)c1ccccc1

InChI:

InChI=1/C17H17N3O3/c1-11(21)14-15(12-5-3-2-4-6-12)20(17(23)16(14)22)8-7-13-9-18-10-19-13/h2-6,9-10,14-15H,7-8H2,1H3,(H,18,19)/t14-,15-/m1/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.8814 kcal/mol

Physical Properties
Molecular Weight: 311.341 g/mol	logS: -2.58691	SlogP: 1.40547	Reactive groups: 0

Topological Properties
Globularity: 0.147545	Sterimol/B1: 2.56329	Sterimol/B2: 2.66811	Sterimol/B3: 5.15524
Sterimol/B4: 8.73644	Sterimol/L: 14.3459

Surface and Volume Properties
Accessible surface: 556.574	Positive charged surface: 334.88	Negative charged surface: 221.694	Volume: 294.75
Hydrophobic surface: 388.097	Hydrophilic surface: 168.477

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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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